Basic information
- CAS
4217-66-7- Standard SMILES
CC(O)(CO)c1ccccc1- InChIKey
LNCZPZFNQQFXPT-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Overview
2-phenyl-1,2-propanediol is a glycol that is cumene carrying two hydroxy substituents at positions 1 and 2. It is a glycol and a member of benzenes. It derives from a hydride of a cumene.
Names & identifiers
- Preferred name
- (+-)-2-Phenyl-1,2-propanediol
- IUPAC
- 2-phenylpropane-1,2-diol
- English name
- 2-Phenyl-1,2-propanediol
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
2-Phenyl-1,2-propanediol4217-66-7CHEBI:131360(+-)-2-Phenyl-1,2-propanediolRefChem:934622224-154-52-phenylpropane-1,2-diol2-phenyl-propane-1,2-diol1,2-Propanediol, 2-phenyl-dl-2-Phenyl-1,2-propanediolNSC510671,2-dihydroxycumene
Show more names
Ai3-13060Einecs 224-154-52-phenoxy-1-propanolDL-2-phenylpropane-1,2-diol2-Phenyl-1,2-propanediol 97%
SCHEMBL71922-Phenyl-1,2-propanediol #1,2-dihydroxy-2-phenylpropaneSCHEMBL4364313DTXSID508633442-Phenyl-1,2-propanediol, 97%MFCD00004453NSC 51067
Database identifiers
- CAS
4217-66-7- PubChem CID
- 97867
- DTXSID
DTXSID50863344- ChEBI
CHEBI:131360- EC Number
- 224-154-5
- Nikkaji
- J225.004G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 44 · 44-45 °C (lit.)
- Boiling point
- 160 · 160-162 °C/26 mmHg (lit.)
- Density
- 1.0505 · 1.0505 (rough estimate)
- refractive index
- 1.491 · 1.4910 (estimate)
- Flash point
- 230 °F · >230 °F
- pka
- 13.68 · 13.68±0.29(Predicted)
- form
- solid
- InChI
- 1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
- InChIKey
- LNCZPZFNQQFXPT-UHFFFAOYSA-N
- SMILES
- CC(O)(CO)c1ccccc1
- NIST Chemistry Reference
- -2 · Dl-2-phenyl-1,2-propanediol(4217-66-7)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2-Phenyl-1,2-propanediol is used in method of manufacturing styrene epoxide by epoxidation of styrene derivatives with hydrogen peroxide in presence of tungstic acid salt, ammonium salt, and phosphoric acid.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Related reactions
5 records
Compound notes
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