2-Acetoxyundecane
Basic information
- CAS
14936-67-5- Standard SMILES
CCCCCCCCCC(C)OC(C)=O- InChIKey
HABRKYMFOVMIBP-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
2-undecanol acetate has been reported in Ruta graveolens with data available.
Names & identifiers
- Preferred name
- 2-Acetoxyundecane
- IUPAC
- undecan-2-yl acetate
- English name
- 1-methyldecyl acetate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34434
Names & synonyms
2-acetoxyundecaneRefChem:483845undecan-2-yl acetate1-Methyldecyl acetate2-Undecanol, acetate14936-67-52-Undecanol acetate2-Undecanol, 2-acetate2-Undecyl acetate2W9934TR9GEINECS 239-011-2AI3-35685
Show more names
2-UNDECANYL ACETATE(+/-)-2-acetoxyundecaneSCHEMBL316946UNII-2W9934TR9GDTXSID90884775(+/-)-2-UNDECANOL ACETATE2-UNDECANOL ACETATE, (+/-)-NS00012878
Database identifiers
- CAS
14936-67-5- PubChem CID
- 85789
- DTXSID
DTXSID90884775- UNII
- 2W9934TR9G
- EC Number
- 239-011-2
- Nikkaji
- J241.353A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- -6.8 °C · -6.8°C (estimate)
- Boiling point
- 254.49 °C · 254.49°C (estimate)
- Density
- 0.8629 · 0.8629 (estimate)
- refractive index
- 1.4202 · 1.4202 (estimate)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.215 · 5.215 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 W9934TR9G · 2W9934TR9G
- EPA Substance Registry System
- 2 · 2-Undecanol, acetate (14936-67-5)
- 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.
Hazard information
Regulatory InformationChemical: 2-Undecanol, acetate
Other Safety InformationIMAP assessments - 2-Undecanol, acetate: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Undecanol, 2-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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