1,3-Propanediol, 1-phenyl-, 1,3-diacetate
Basic information
- CAS
6270-04-8- Standard SMILES
CC(=O)OCCC(OC(C)=O)c1ccccc1- InChIKey
SBOBOTARPDBQPK-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 1,3-Propanediol, 1-phenyl-, 1,3-diacetate
- IUPAC
- (3-acetyloxy-3-phenylpropyl) acetate
- English name
- 1-Phenyl-1,3-propanediol diacetate
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
3-Phenyl-1,3-propanediol diacetate6270-04-81,3-Propanediol, 1-phenyl-, 1,3-diacetate1,3-Propanediol, 1-phenyl-, diacetateDTXSID80884244EINECS 228-446-3NSC 33727AI3-05720RefChem:72927DTXCID9010236981-Phenylpropane-1,3-diyl diacetateNSC-33727
Show more names
NSC337271-Phenyl-1,3-propanediol diacetateWZX56CLS7ZSCHEMBL9389062SBOBOTARPDBQPK-UHFFFAOYSA-N(3-acetyloxy-1-phenylpropyl) acetateNS00043994
Database identifiers
- CAS
6270-04-8- PubChem CID
- 97745
- DTXSID
DTXSID80884244- UNII
- WZX56CLS7Z
- EC Number
- 228-446-3
- Nikkaji
- J211.502F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 107 °C · 107 °C(Press: 16 Torr)
- Density
- 1.1095 g/cm3 · 1.1095 g/cm3
- EPA Substance Registry System
- 1 · 1,3-Propanediol, 1-phenyl-, diacetate (6270-04-8)
- 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.
Hazard information
Regulatory InformationChemical: 1,3-Propanediol, 1-phenyl-, diacetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediol, 1-phenyl-, 1,3-diacetate: INACTIVE
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Related reactions
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Compound notes
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