Basic information
- Standard SMILES
C=CCCCCCCCCC(=O)OCCc1ccccc1- InChIKey
BXLGKICTKQVKQF-UHFFFAOYSA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893014
Names & identifiers
- Preferred name
- 10-Undecenoic acid, 2-phenylethyl ester
- IUPAC
- 2-phenylethyl undec-10-enoate
- English name
- phenethyl undec-10-enoate
- Molecular formula
- C19H28O2
- Molecular weight
- 288.42
Names & synonyms
72727-63-010-Undecenoic acid, 2-phenylethyl esterEINECS 276-796-0DTXSID8072586RefChem:437089DTXCID9047330Phenethyl undec-10-enoate2-PHENYLETHYL UNDEC-10-ENOATE2-Phenylethyl 10-undecenoateSCHEMBL7961983X9QS9925W9undec-10-enoic acid phenethyl ester
Show more names
phenethyl 10-undecenoate10-Undecenoic acid 2-phenylethyl ester
AKOS024264041NS00037399
Database identifiers
- CAS
72727-63-0- PubChem CID
- 175127
- DTXSID
DTXSID8072586- UNII
- X9QS9925W9
- EC Number
- 276-796-0
- Nikkaji
- J296.362K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 384.7 · 384.7±11.0 °C(Predicted)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- LogP
- 6.475 · 6.475 (est)
- EPA Substance Registry System
- 10 · 10-Undecenoic acid, 2-phenylethyl ester (72727-63-0)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 10-Undecenoic acid, 2-phenylethyl ester
Other Safety InformationIMAP assessments - 10-Undecenoic acid, 2-phenylethyl ester: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information10-Undecenoic acid, 2-phenylethyl ester: INACTIVE
Suppliers1 total
吉良化学21-62165282 · [email protected]
Related reactions
4 records
Linked notes
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