Acetic acid, isodecyl ester
Basic information
- CAS
69103-24-8- Standard SMILES
CC(=O)OCCCCCCCC(C)C- InChIKey
CRKWWBFTYGZTBS-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Acetic acid, isodecyl ester
- IUPAC
- 8-methylnonyl acetate
- English name
- ISO-DECYL-ACETATE
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
Acetic acid, isodecyl ester69103-24-8EINECS 273-873-0DTXSID1071957RefChem:108969DTXCID3046457Isodecyl acetate8-methylnonyl acetateSCHEMBL421572CRKWWBFTYGZTBS-UHFFFAOYSA-NDB-055225NS00012697
Show more names
PRODUKT DA 130ISO-DECYL-ACETATEAceticacid,isodecylesterAcetic acid 8-methylnonyl ester
Database identifiers
- CAS
69103-24-8- PubChem CID
- 112240
- DTXSID
DTXSID1071957- EC Number
- 273-873-0
- Nikkaji
- J441.288E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- solubility
- almost insoluble in water, miscible with alcohol and oils.
- color
- Colorless liquid
- Odor
- 100 % · at 100.00 %. fresh citrus green herbal cumin powdery clean
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.705 · 4.705 (est)
- EPA Substance Registry System
- Acetic acid, isodecyl ester (69103-24-8)
- 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% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, isodecyl ester
Acetic acid, isodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Acetic acid, isodecyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, isodecyl ester: ACTIVE
Applications
UsesIso-decyl acetate has been suggested for use in perfume compositions, including soap perfumes as a modifier for Linalyl acetate in citrusy compositions.
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Related reactions
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Compound notes
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