Basic information
- CAS
10522-41-5- Standard SMILES
CC(=O)OCC(O)c1ccccc1- InChIKey
QGJIFOZQMCBQIP-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
structure
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1-phenyl-, 2-acetate
- IUPAC
- (2-hydroxy-2-phenylethyl) acetate
- English name
- beta-hydroxyphenethyl acetate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
10522-41-51,2-Ethanediol, 1-phenyl-, 2-acetatePhenylethane-1,2-diol-2-acetateDTXSID80864288RefChem:72079DTXCID80812825234-072-1beta-Hydroxyphenethyl acetate2-hydroxy-2-phenylethyl acetate(2-hydroxy-2-phenylethyl) acetateEINECS 234-072-1AI3-03877
Show more names
b-hydroxyphenethylphenyl glycol acetateβ-hydroxyphenethyl acetateb-hydroxyphenethyl acetate2-ethanediol, 1-phenyl- 2-acetate1,2-Ethanediol, 1-phenyl-2-acetateAcetic acid β-hydroxyphenethyl esterAcetic acid 2-phenyl-2-hydroxyethyl esterAcetic acid 2-hydroxy-2-phenylethyl ester
SCHEMBL55668562-Acetoxy-1-phenyl-athan-1-olQGJIFOZQMCBQIP-UHFFFAOYSA-NNS00012644
Database identifiers
- CAS
10522-41-5- PubChem CID
- 112062
- DTXSID
DTXSID80864288- EC Number
- 234-072-1
- Nikkaji
- J212.455F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 136 · 136-137 °C(Press: 6 Torr)
- Density
- 1.1438 g/cm3 · 1.1438 g/cm3
- pka
- 13.34 · 13.34±0.20(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.076 · 1.076 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1,2-Ethanediol, 1-phenyl-, 2-acetate (10522-41-5)
- 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: 1,2-Ethanediol, 1-phenyl-, 2-acetate
Other Safety InformationIMAP assessments - 1,2-Ethanediol, 1-phenyl-, 2-acetate: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediol, 1-phenyl-, 2-acetate: INACTIVE
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences[email protected]
BOC Sciences+1-631-485-4226 · [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
Loading…