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3-(3,4-Methylenedioxyphenyl)-2-methylpropanal

PubChem CID
64805
Structure
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal_small.png
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal_3D_Structure.png
Molecular Formula
Synonyms
  • 1205-17-0
  • Helional
  • 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal
  • 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
  • Heliobouquet
Molecular Weight
192.21 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-26
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(1,3-benzodioxol-5-yl)-2-methylpropanal
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

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

2.1.4 SMILES

CC(CC1=CC2=C(C=C1)OCO2)C=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C11H12O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

1205-17-0

2.3.2 European Community (EC) Number

2.3.3 UNII

2.3.4 ChEMBL ID

2.3.5 DSSTox Substance ID

2.3.6 FEMA Number

2.3.7 JECFA Number

2212

2.3.8 Nikkaji Number

2.3.9 NSC Number

2.3.10 RXCUI

2.3.11 Wikidata

2.3.12 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
  • MMDHCA cpd

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
192.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
192.078644241 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
192.078644241 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
35.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
205
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
1
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

Liquid
Pale yellow to yellow clear oily liquid / Floral, fresh, melon, ozone, marine aroma

3.2.2 Solubility

Insoluble
soluble (in ethanol)

3.2.3 Density

1.158-1.169

3.2.4 Refractive Index

1.529-1.539

3.2.5 Kovats Retention Index

Standard non-polar
1543 , 1541

3.3 Chemical Classes

3.3.1 Endocrine Disruptors

Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198

3.3.2 Food Additives

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

3.3.3 Fragrances

Fragrance Ingredient (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde) -> IFRA transparency List
Fragrance substance (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)) -> IFRA amendment 49

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 13C NMR Spectra

Instrument Name
Bruker AM-270
Copyright
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 3
View All
NIST Number
285281
Library
Main library
Total Peaks
33
m/z Top Peak
135
m/z 2nd Highest
164
m/z 3rd Highest
192
Thumbnail
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2 of 3
View All
Source of Spectrum
Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.3 IR Spectra

4.3.1 FTIR Spectra

1 of 2
Instrument Name
Bruker Tensor 27 FT-IR
Technique
Neat
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
M2404
Lot Number
ELLQF-JL
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker IFS 85
Technique
Film
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Thumbnail
Thumbnail

4.3.2 ATR-IR Spectra

Instrument Name
Bruker Tensor 27 FT-IR
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
M2404
Lot Number
ELLQF-JL
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.4 Raman Spectra

Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
M2404
Lot Number
ELLQF-JL
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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6 Chemical Vendors

7 Food Additives and Ingredients

7.1 Food Additive Classes

JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT;
Flavoring Agents

7.2 FDA Substances Added to Food

Used for (Technical Effect)
FLAVORING AGENT OR ADJUVANT
FEMA Number
4599
GRAS Number
24

7.3 Evaluations of the Joint FAO / WHO Expert Committee on Food Additives - JECFA

Chemical Name
3-(3,4-METHYLENEDIOXYPHENYL)-2- METHYLPROPANAL
Evaluation Year
2016
ADI
EVALUATION IS NOT COMPLETED
Comments
Additional data required to complete evaluation

8 Use and Manufacturing

8.1 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

8.1.1 Use Classification

Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

8.1.2 Industry Uses

  • Flavoring and nutrient
  • Fragrance
  • Odor agents

8.1.3 Consumer Uses

  • Fragrance
  • Odor agents

8.1.4 Household Products

Household & Commercial/Institutional Products

Information on 81 consumer products that contain Methylenedioxyphenyl Methylpropanal in the following categories is provided:

• Auto Products

• Commercial / Institutional

• Inside the Home

• Personal Care

8.2 IFRA Fragrance Standards

IFRA Substance
alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)
Synonyms
1,3-Benzodioxole-5-propanal, α-methyl-; 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal; 2-Methyl-3-(3,4-methylenedioxyphenyl)- propionaldehyde; 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal; α-Methyl-3,4-(methylenedioxy)-hydrocinnamaldehyde; α-Methyl-1,3-benzodioxole-5-propanal; α-Methyl-1,3-benzodioxole-5-propionaldehyde; 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal; α-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde; Heliofolal (commercial name); Heliogan (commercial name); Helional (commercial name); Tropional (commercial name)
Amendment
49
IFRA Standard type
Restriction: This material should be used only in the limited quantity as stated in the Standard
Intrinsic property driving the risk management measure
DERMAL SENSITIZATION AND SYSTEMIC TOXICITY
Flavor use consideration
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

8.2.1 Restriction Limits in the Finished Product (%)

Category 1 (%)
0.12 [Products applied to the lips]
Category 2 (%)
0.25 [Products applied to the axillae]
Category 3 (%)
0.039 [Products applied to the face/body using fingertips]
Category 4 (%)
2.6 [Products related to fine fragrances]
Category 5A (%)
0.39 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
Category 5B (%)
0.077 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Category 5C (%)
0.077 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)]
Category 5D (%)
0.026 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)]
Category 6 (%)
0.62 [Products with oral and lip exposure]
Category 7A (%)
0.077 [Rinse-off products applied to the hair with some hand contact]
Category 7B (%)
0.077 [Leave-on products applied to the hair with some hand contact]
Category 8 (%)
0.026 [Products with significant anogenital exposure (tampon)]
Category 9 (%)
0.15 [Products with body and hand exposure, primarily rinse off]
Category 10A (%)
0.15 [Household care products with mostly hand contact (excluding aerosol/spray products)]
Category 10B (%)
0.62 [Household care products with mostly hand contact (household aerosol/spray products)]
Category 11A (%)
0.026 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]
Category 11B (%)
0.026 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure]
Category 12 (%)
12 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin]

8.3 U.S. Production

Aggregated Product Volume

2019: 100,000 - <500,000 lb

2018: 100,000 - <500,000 lb

2017: 100,000 - <500,000 lb

2016: 100,000 - <500,000 lb

8.4 General Manufacturing Information

Industry Processing Sectors
  • Other (requires additional information)
  • All Other Basic Organic Chemical Manufacturing
  • Food, beverage, and tobacco product manufacturing
  • Soap, Cleaning Compound, and Toilet Preparation Manufacturing
  • Plastics Material and Resin Manufacturing
  • All Other Chemical Product and Preparation Manufacturing
EPA TSCA Commercial Activity Status
1,3-Benzodioxole-5-propanal, .alpha.-methyl-: ACTIVE

9 Safety and Hazards

9.1 Hazards Identification

9.1.1 GHS Classification

1 of 4
View All
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements

H317 (41.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H411 (97.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, 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 1800 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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.

9.1.2 Hazard Classes and Categories

Skin Sens. 1 (41.7%)

Aquatic Chronic 2 (97.8%)

Skin sensitization - Category 1B

Reproductive toxicity - Category 2

Hazardous to the aquatic environment (Acute) - Category 2

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

9.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: 1,3-Benzodioxole-5-propanal, .alpha.-methyl-
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Helional: Does not have an individual approval but may be used under an appropriate group standard

10 Literature

10.1 Consolidated References

10.2 NLM Curated PubMed Citations

10.3 Springer Nature References

10.4 Thieme References

10.5 Chemical Co-Occurrences in Literature

10.6 Chemical-Gene Co-Occurrences in Literature

10.7 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 Interactions and Pathways

12.1 Chemical-Target Interactions

13 Biological Test Results

13.1 BioAssay Results

14 Classification

14.1 MeSH Tree

14.2 ChemIDplus

14.3 ChEMBL Target Tree

14.4 UN GHS Classification

14.5 EPA CPDat Classification

14.6 NORMAN Suspect List Exchange Classification

14.7 EPA DSSTox Classification

14.8 Consumer Product Information Database Classification

14.9 EPA TSCA and CDR Classification

14.10 EPA Substance Registry Services Tree

14.11 MolGenie Organic Chemistry Ontology

15 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    1,3-Benzodioxole-5-propanal, .alpha.-methyl-
    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
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  4. DTP/NCI
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  5. 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
    1,3-Benzodioxole-5-propanal, .alpha.-methyl-
    https://www.epa.gov/chemical-data-reporting
  6. EPA Chemicals under the TSCA
    1,3-Benzodioxole-5-propanal, .alpha.-methyl-
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  7. EPA DSSTox
    3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
    https://comptox.epa.gov/dashboard/DTXSID7043908
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  8. 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
    α-methyl-1,3-benzodioxole-5-propionaldehyde
    https://chem.echa.europa.eu/100.013.528
  9. 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
    3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
    https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L65EG8H6PA
  10. International Fragrance Association (IFRA)
    LICENSE
    (c) The International Fragrance Association, 2007-2021. All rights reserved.
    https://ifrafragrance.org/links/copyright
    alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)
    https://ifrafragrance.org/standards/IFRA_STD_059.pdf
  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. ChEMBL
    LICENSE
    Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).
    http://www.ebi.ac.uk/Information/termsofuse.html
  13. Comparative Toxicogenomics Database (CTD)
    LICENSE
    It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.
    http://ctdbase.org/about/legal.jsp
    alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
    https://ctdbase.org/detail.go?type=chem&acc=C512486
  14. 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
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  15. EPA Chemical and Products Database (CPDat)
    3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
    https://comptox.epa.gov/dashboard/DTXSID7043908#exposure
  16. Joint FAO/WHO Expert Committee on Food Additives (JECFA)
    LICENSE
    Permission from WHO is not required for the use of WHO materials issued under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Intergovernmental Organization (CC BY-NC-SA 3.0 IGO) licence.
    https://www.who.int/about/policies/publishing/copyright
  17. NITE-CMC
    3-(1,3-Benzodioxol-5-yl)-2-methylpropanal - FY2022 (Revised classification)
    https://www.chem-info.nite.go.jp/chem/english/ghs/22-jniosh-2026e.html
    3-(1,3-Benzodioxol-5-yl)-2-methylpropanal - FY2016 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/16-mhlw-0075e.html
  18. Regulation (EC) No 1272/2008 of the European Parliament and of the Council
    LICENSE
    The copyright for the editorial content of this source, the summaries of EU legislation and the consolidated texts, which is owned by the EU, is licensed under the Creative Commons Attribution 4.0 International licence.
    https://eur-lex.europa.eu/content/legal-notice/legal-notice.html
    α-methyl-1,3-benzodioxole-5-propionaldehyde
    https://eur-lex.europa.eu/eli/reg/2008/1272/oj
  19. FDA Substances Added to Food
    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
  20. Flavor and Extract Manufacturers Association (FEMA)
  21. Japan Chemical Substance Dictionary (Nikkaji)
  22. 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
    1,3-Benzodioxole-5-propanal, .alpha.-methyl-
    http://www.nist.gov/srd/nist1a.cfm
  23. SpectraBase
    2-(3,4-Methylenedioxybenzyl)propanal
    https://spectrabase.com/spectrum/4ip7Y8iKFtC
    2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
    https://spectrabase.com/spectrum/Ah9KfHsBp5w
    2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
    https://spectrabase.com/spectrum/3pSYZMtLBxu
    2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
    https://spectrabase.com/spectrum/3idNUORpZpu
    1,3-Benzodioxole-5-propanal, alpha-methyl-
    https://spectrabase.com/spectrum/HMpOnKjgFKV
    2-(3,4-Methylenedioxy-benzyl)-propanal
    https://spectrabase.com/spectrum/FRp5N6W1oXJ
  24. NLM RxNorm Terminology
    LICENSE
    The RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.
    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
    3-(3,4-methylenedioxyphenyl)-2-methylpropanal
    https://rxnav.nlm.nih.gov/id/rxnorm/1376341
  25. 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/
  26. Springer Nature
  27. Thieme Chemistry
    LICENSE
    The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc-nd/4.0/
  28. Wikidata
    3-(3,4-methylenedioxyphenyl)-2-methylpropanal
    https://www.wikidata.org/wiki/Q16511833
  29. Wikipedia
  30. PubChem
  31. 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
    alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
    https://www.ncbi.nlm.nih.gov/mesh/67512486
  32. GHS Classification (UNECE)
  33. EPA Substance Registry Services
  34. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  35. PATENTSCOPE (WIPO)
  36. NCBI
CONTENTS