Basic information
- CAS
69103-23-7- Standard SMILES
CC(=O)OCCCCCCCCCCC(C)C- InChIKey
HBNFJAUKNDPDBF-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Acetic acid, isotridecyl ester
- IUPAC
- 11-methyldodecyl acetate
- English name
- ISO-TRIDECYL-ACETATE
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Acetic acid, isotridecyl ester69103-23-7EINECS 273-872-5DTXSID6071956RefChem:108971DTXCID804645611-methyldodecyl acetateIsotridecyl acetateISO-TRIDECYL-ACETATESCHEMBL27261222HBNFJAUKNDPDBF-UHFFFAOYSA-NDB-255066
Show more names
ITC-ACETATEAceticacid,isotridecylesterAcetic acid 11-methyldodecyl ester
NS00012776
Database identifiers
- CAS
69103-23-7- PubChem CID
- 112239
- DTXSID
DTXSID6071956- EC Number
- 273-872-5
- Nikkaji
- J441.287G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Isotridecyl acetate) -> IFRA transparency List
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 6.234 · 6.234 (est)
- EPA Substance Registry System
- Acetic acid, isotridecyl ester (69103-23-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (266 of 266) of all reports.
Not Classified
Aggregated GHS information provided per 266 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, isotridecyl ester
Acetic acid, isotridecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationAcetic acid, isotridecyl ester: ACTIVE
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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