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Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

PubChem CID
16386
Structure
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate_small.png
Molecular Formula
Synonyms
  • 2082-79-3
  • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
  • Irganox 1076
  • Antioxidant 1076
  • Tominokusu SS
Molecular Weight
530.9 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-28
  • Modify:
    2025-01-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate.png

1.2 3D Status

Conformer generation is disallowed since too flexible

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

SSDSCDGVMJFTEQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C35H62O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

2082-79-3

2.3.2 Deprecated CAS

109265-64-7, 119764-08-8, 1352054-71-7, 156511-59-0, 69093-37-4, 80693-11-4, 947261-97-4
109265-64-7, 119764-08-8, 1352054-71-7, 156511-59-0, 2640004-55-1, 69093-37-4, 80693-11-4, 947261-97-4

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 DSSTox Substance ID

2.3.6 Nikkaji Number

2.3.7 Wikidata

2.3.8 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • Irganox 1076
  • n-octadecyl beta-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate
  • stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
530.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
13.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
23
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
530.46989584 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
530.46989584 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
38
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
561
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

NKRA; Dry Powder, Liquid; Gas or Vapor; Pellets or Large Crystals; Liquid; Dry Powder; Liquid, Other Solid; Other Solid
Irganox: White odorless solid; [HSDB] Solid; [IUCLID]

3.3 Chemical Classes

Other Classes -> Other Aromatic Compounds
Antioxidant
S120 | DUSTCT2024 | Substances from Second NORMAN Collaborative Dust Trial | DOI:10.5281/zenodo.13835254

3.3.1 Fragrances

Fragrance Ingredient (Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester) -> IFRA transparency List

3.3.2 Polymers

Plastics -> Antioxidants
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139
Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

4 Spectral Information

4.1 1D NMR Spectra

1D NMR Spectra

4.1.1 1H NMR Spectra

Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
367079
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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4.1.2 13C NMR Spectra

1 of 2
Instrument Name
Bruker WP-80
Copyright
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
367079
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 7
View All
MoNA ID
MS Category
Experimental
MS Type
GC-MS
MS Level
MS1
Instrument
Unknown
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

57 99.99

43 47.73

530 35.39

515 33.93

55 30.28

Thumbnail
Thumbnail
License
CC BY-NC-SA
2 of 7
View All
NIST Number
236281
Library
Main library
Total Peaks
266
m/z Top Peak
530
m/z 2nd Highest
57
m/z 3rd Highest
515
Thumbnail
Thumbnail

4.2.2 Other MS

Authors
MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
Instrument
Unknown
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Top 5 Peaks

57 999

43 477

530 354

515 339

55 303

Thumbnail
Thumbnail
License
CC BY-NC-SA

4.3 IR Spectra

4.3.1 FTIR Spectra

1 of 2
Technique
FILM (CAST FROM CHLOROFORM)
Source of Sample
General Electric Company, Ge Specialty Chemicals, Schenectady, New York
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Technique
MELT (LIQUID PHASE)
Source of Sample
Lowi Chemical Corporation, Akron, Ohio
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.3.2 ATR-IR Spectra

1 of 2
Technique
ATR, FILM (CAST FROM CHLOROFORM)
Source of Sample
Adeka Argus Chemical Company, Ltd., Japan
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Source of Sample
Aldrich
Catalog Number
367079
Copyright
Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.4 Raman Spectra

1 of 2
Instrument Name
Bio-Rad FTS 175C with Raman accessory
Technique
FT-Raman
Source of Sample
General Electric Company, Ge Specialty Chemicals, Schenectady, New York
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Instrument Name
Bio-Rad FTS 175C with Raman accessory
Technique
FT-Raman
Source of Sample
Adeka Argus Chemical Company, Ltd., Japan
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.5 Other Spectra

NON-STAINING, NONVOLATILE, ODORLESS /IRGANOX/
Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 472
WHITE CRYSTALLINE, FREE FLOWING POWDERS /IRGANOX/
Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 472

6 Chemical Vendors

7 Use and Manufacturing

7.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Sources/Uses
Irganox: Trademark for a series of complex, high-molecular-weight stabilizers that inhibit oxidation and thermal degradation of many organic materials. They contain multifunctional chemical groupings. Several are hindered polyphenols. [HSDB] Used in process that results in inclusion into or onto matrix; in polymers industry; as stabilizer; as antioxidant; [IUCLID]
Plastics -> Typical concentration range in plastic materials -> 0.002 - 0.4%
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

7.1.1 Use Classification

Fragrance Ingredients
Plastics -> Antioxidants
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

7.1.2 Industry Uses

  • Oxidizing/reducing agents
  • UV stabilizer
  • Antioxidant
  • Reducing agent
  • Other (specify)
  • Defoamer
  • Stabilizing agent
  • Heat stabilizer
  • Not Known or Reasonably Ascertainable
  • Diluent
  • Paint additives and coating additives not described by other categories
  • Processing aids, not otherwise listed
  • Chemical reaction regulator

7.1.3 Consumer Uses

  • Processing aids, not otherwise listed
  • Not Known or Reasonably Ascertainable
  • Antioxidant
  • Oxidizing/reducing agents
  • UV stabilizer
  • Reducing agent

7.1.4 Household Products

Household & Commercial/Institutional Products

Information on 11 consumer products that contain Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester in the following categories is provided:

• Inside the Home

• Personal Care

7.2 U.S. Production

Aggregated Product Volume

2019: 20,000,000 lb - <100,000,000 lb

2018: 10,000,000 - <50,000,000 lb

2017: 10,000,000 - <50,000,000 lb

2016: 10,000,000 - <50,000,000 lb

7.3 General Manufacturing Information

Industry Processing Sectors
  • Not Known or Reasonably Ascertainable
  • Plastics Material and Resin Manufacturing
  • Synthetic Rubber Manufacturing
  • Custom Compounding of Purchased Resins
  • All Other Chemical Product and Preparation Manufacturing
  • Rubber Product Manufacturing
  • Plastics Product Manufacturing
  • Other (requires additional information)
  • Adhesive Manufacturing
  • Paint and Coating Manufacturing
  • Machinery Manufacturing
  • Transportation Equipment Manufacturing
  • Miscellaneous Manufacturing
  • Petroleum Lubricating Oil and Grease Manufacturing
EPA TSCA Commercial Activity Status
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester: ACTIVE
TRADEMARK FOR A SERIES OF COMPLEX, HIGH-MOLECULAR-WEIGHT STABILIZERS THAT INHIBIT OXIDATION AND THERMAL DEGRADATION OF MANY ORGANIC MATERIALS. THEY CONTAIN MULTIFUNCTIONAL CHEMICAL GROUPINGS. SEVERAL ARE HINDERED POLYPHENOLS. /IRGANOX/
Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 472

8 Safety and Hazards

8.1 Hazards Identification

8.1.1 GHS Classification

1 of 2
View All
Note
This chemical does not meet GHS hazard criteria for 74.1% (1180 of 1592) of all reports. Pictograms displayed are for 25.9% (412 of 1592) of reports that indicate hazard statements.
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (19.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 1592 reports by companies from 14 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 1180 of 1592 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 11 notifications provided by 412 of 1592 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

8.1.2 Hazard Classes and Categories

Skin Sens. 1 (19.3%)

Reproductive toxicity - Category 2

Hazardous to the aquatic environment (Long-term) - Category 2

8.1.3 Hazards Summary

An irritant; [MSDSonline]

8.2 Exposure Control and Personal Protection

Maximum Allowable Concentration (MAK)
20.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]

8.3 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

8.4 Other Safety Information

Chemical Assessment
IMAP assessments - Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester: Human health tier I assessment

9 Toxicity

9.1 Toxicological Information

9.1.1 Toxicity Data

LC50 (rat) > 1,811 mg/m3/4h

9.1.2 Non-Human Toxicity Excerpts

MUTAGENICITY OF PHOTOREACTION PRODUCTS OF TITLE COMPD WAS DETERMINED IN SALMONELLA TYPHIMURIUM TA98 & TA100. AT MORE THAN 100 MUG/PLATE, NO MUTAGENICITY WAS OBSERVED. THE PHOTOREACTION PRODUCTS OF 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE & THE DIMERIC OXIDN PRODUCTS OF IRGANOX 1076 WERE CHARACTERIZED BY TLC OR NMR SPECTROMETRY.
YOSHIDA Y; MUTAGENICITY OF PHOTOREACTION PRODUCTS OF 2,6-DI-TERT-BUTYL-4- METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE AND OF PHOTOREACTION PRODUCTS OF OCTADECYL 3-(1-TERT-BUTYLPEROXY-3,5-DI-TERT-BUTYL-4-OXO-CYCLOHEXA-2,5- DIEN-1-YL)PROPIONATE; OSAKA-FURITSU KOSHU EISEI KENKYUSHO KENKYU HOKOKU SHOKUHIN EISEI HEN 12: 95 (1981)
ORAL ADMIN OF N-OCTADECYL BETA-(3',5'-DI-TERT-BUTYL-4'- HYDROXYPHENYL)PROPIONATE IN MALE & FEMALE RATS PRODUCED BOTH LIVER ENLARGEMENT & INDUCTION OF HEPATIC MICROSOMAL XENOBIOTIC METABOLISM, INCLUDING CYTOCHROME P-450, MIXED-FUNCTION OXIDASE ENZYMES & UDP-GLUCURONOSYLTRANSFERASE.
LAKE BG ET AL; THE INDUCTION OF RAT HEPATIC MICROSOMAL XENOBIOTIC METABOLISM BY N-OCTADECYL BETA-(3',5'-DI-TERT-BUTYL-4'-HYDROXYPHENYL)PROPIONATE; FOOD COSMET TOXICOL 18(1) 47 (1980)

10 Literature

10.1 Consolidated References

10.2 NLM Curated PubMed Citations

10.3 Springer Nature References

10.4 Chemical Co-Occurrences in Literature

10.5 Chemical-Gene Co-Occurrences in Literature

10.6 Chemical-Disease Co-Occurrences in Literature

11 Patents

11.1 Depositor-Supplied Patent Identifiers

11.2 WIPO PATENTSCOPE

11.3 Chemical Co-Occurrences in Patents

11.4 Chemical-Disease Co-Occurrences in Patents

11.5 Chemical-Gene Co-Occurrences in Patents

12 Biological Test Results

12.1 BioAssay Results

13 Classification

13.1 MeSH Tree

13.2 ChemIDplus

13.3 UN GHS Classification

13.4 EPA CPDat Classification

13.5 NORMAN Suspect List Exchange Classification

13.6 EPA DSSTox Classification

13.7 Consumer Product Information Database Classification

13.8 EPA TSCA and CDR Classification

13.9 EPA Substance Registry Services Tree

13.10 MolGenie Organic Chemistry Ontology

14 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    https://services.industrialchemicals.gov.au/search-assessments/
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    https://services.industrialchemicals.gov.au/search-inventory/
  2. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
  3. ChemIDplus
    Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester
    https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0002082793
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  4. EPA Chemical Data Reporting (CDR)
    LICENSE
    The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
    https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    https://www.epa.gov/chemical-data-reporting
  5. EPA Chemicals under the TSCA
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  6. EPA DSSTox
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://comptox.epa.gov/dashboard/DTXSID8027456
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  7. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://chem.echa.europa.eu/100.016.560
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate (EC: 218-216-0)
    https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/81999
  8. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
    OCTADECYL DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE
    https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V88J661G2P
  9. Hazardous Substances Data Bank (HSDB)
    HYDROCINNAMIC ACID, 3,5-DI-T-BUTYL-4-HYDROXY-, OCTADECYL ESTER
    https://pubchem.ncbi.nlm.nih.gov/source/hsdb/5865
  10. International Fragrance Association (IFRA)
    LICENSE
    (c) The International Fragrance Association, 2007-2021. All rights reserved.
    https://ifrafragrance.org/links/copyright
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    https://ifrafragrance.org/priorities/ingredients/ifra-transparency-list
  11. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  12. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://www.whatsinproducts.com/contents/view/1/6
    Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester
    https://www.whatsinproducts.com/chemicals/view/1/3941/002082-79-3
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  13. EPA Chemical and Products Database (CPDat)
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://comptox.epa.gov/dashboard/DTXSID8027456#exposure
  14. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
    Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester
    https://haz-map.com/Agents/5560
  15. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  16. NITE-CMC
    n-Octadecyl 3-(4'-hydroxy-3',5'-di-t-butylphenyl) propionate - FY2016 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/16-mhlw-0030e.html
  17. Japan Chemical Substance Dictionary (Nikkaji)
  18. MassBank Europe
    OCTADECYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE
    https://massbank.eu/MassBank/Result.jsp?inchikey=SSDSCDGVMJFTEQ-UHFFFAOYSA-N
  19. MassBank of North America (MoNA)
    LICENSE
    The content of the MoNA database is licensed under CC BY 4.0.
    https://mona.fiehnlab.ucdavis.edu/documentation/license
  20. NIST Mass Spectrometry Data Center
    LICENSE
    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
    Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    http://www.nist.gov/srd/nist1a.cfm
  21. SpectraBase
    BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, OCTADECYL ESTER
    https://spectrabase.com/spectrum/3ubpkaHZDW1
    OCTADECYL 3-(3,5-DI-tert-BUTYL-4-HYDROXYPHENYL) PROPIONATE
    https://spectrabase.com/spectrum/9Z6aDAv1yO7
    OCTADECYL-3-(3',5'-DI-tert-BUTYL-4'-HYDROXYPHENYL)PROPIONATE
    https://spectrabase.com/spectrum/B5lKCim9Xf6
    OCTADECYL 3-(3,5-DI-tert-BUTYL-4-HYDROXYPHENYL) PROPIONATE
    https://spectrabase.com/spectrum/4zAY97cjqbl
    OCTADECYL 3-(3',5'-DI-tert-BUTYL-4'-HYDROXYPHENYL)PROPIONATE
    https://spectrabase.com/spectrum/87IM4s5ASSN
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://spectrabase.com/spectrum/Js76dHI8BsL
    3,5-Di(T-butyl)-4-hydroxy-benzenepropanoic acid, octadecyl ester
    https://spectrabase.com/spectrum/A7KFuX8VmQQ
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://spectrabase.com/spectrum/3p9jSrztgYZ
    Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    https://spectrabase.com/spectrum/8RiENahelY7
  22. NMRShiftDB
  23. Springer Nature
  24. Wikidata
    octadecyl di-tert-butyl-4-hydroxyhydrocinnamate
    https://www.wikidata.org/wiki/Q27291662
  25. Wikipedia
  26. PubChem
  27. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  28. GHS Classification (UNECE)
  29. EPA Substance Registry Services
  30. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  31. PATENTSCOPE (WIPO)
CONTENTS