Dodecyl phthalate
PubChem CID
88948
Structure
Molecular Formula
Synonyms
- Dodecyl phthalate
- 21577-80-0
- Dodecyl hydrogen phthalate
- 2-dodecoxycarbonylbenzoic acid
- Monododecyl phthalate
Molecular Weight
334.4 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
2-dodecoxycarbonylbenzoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-13-16-24-20(23)18-15-12-11-14-17(18)19(21)22/h11-12,14-15H,2-10,13,16H2,1H3,(H,21,22)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
WGQVJOPQTOUKDI-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H30O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Dodecyl phthalate
- 21577-80-0
- Dodecyl hydrogen phthalate
- 2-dodecoxycarbonylbenzoic acid
- Monododecyl phthalate
- TD6HB31KC4
- 1,2-Benzenedicarboxylic acid, monododecyl ester
- mono-Dodecylphthalat
- Monolauryl phthalate
- UNII-TD6HB31KC4
- SCHEMBL698756
- DTXSID10864998
- 2-(dodecyloxycarbonyl)benzoic acid
- EINECS 244-450-8
- 2-((dodecyloxy)carbonyl)benzoic acid
- NS00050320
- Q27289910
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
334.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
7.5
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
334.21440943 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
334.21440943 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
63.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
354
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
Plastics & Rubber -> Phthalate Esters
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
See PHTHALATE ESTERS.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WGQVJOPQTOUKDI-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1-Dodecyl 1,2-benzenedicarboxylatehttps://commonchemistry.cas.org/detail?cas_rn=21577-80-0
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxMonolauryl phthalatehttps://comptox.epa.gov/dashboard/DTXSID10864998CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse 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-noticeDodecyl hydrogen phthalatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.040.395
- FDA Global Substance Registration System (GSRS)LICENSEUnless 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#linkingDODECYL PHTHALATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/TD6HB31KC4
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (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/AboutDodecyl phthalatehttps://haz-map.com/Agents/21176
- Japan Chemical Substance Dictionary (Nikkaji)
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Springer Nature
- Wikidatadodecyl phthalatehttps://www.wikidata.org/wiki/Q27289910
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388728275https://pubchem.ncbi.nlm.nih.gov/substance/388728275
CONTENTS