(2S,3S)-3-Phenyl-2-oxiranemethanol

HCID 149229

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Basic information

CAS: 104196-23-8
Standard SMILES: OC[C@@H]1O[C@H]1c1ccccc1
InChIKey: PVALSANGMFRTQM-IUCAKERBSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: (2S,3S)-3-Phenyl-2-oxiranemethanol
IUPAC: [(2S,3S)-3-phenyloxiran-2-yl]methanol
English name: (2S,3S)-(-)-3-Phenylglycidol
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

DTXSID401017349(2S,3S)-3-Phenyl-2-oxiranemethanolRefChem:398858DTXCID101475558104196-23-8(2S,3S)-(-)-3-Phenylglycidol((2S,3S)-3-phenyloxiran-2-yl)methanol[(2S,3S)-3-phenyloxiran-2-yl]methanol(2S,3S)-Phenylglycidol(2S,3S)-3-Phenylglycidol3-Phenyloxiranemethanol (2S-trans)-Oxiranemethanol, 3-phenyl-, (2S-trans)-

Show more names

(2s-trans)-oxiranemethano(2S,3S)-(-)-3-Phenylglycydol(2S,3S)-3-Phenylglycidol,96%(2S,3S)-3-Phenylglycidol,90%2,3-EPOXY-3-PHENYL-1-PROPANOL(2S,3S)-3-PHENYLOXIRANEMETHANOL(2S,3S)-(-)-3-PHENYLGLYCIDOL 90%

(2S,3S)-(-)-2,3-Epoxy-3-phenyl-1-propanolSCHEMBL3260343(2S,3S)-()-3-PhenylglycidolPVALSANGMFRTQM-IUCAKERBSA-NAKOS015913803(2S,3S)-(-)-3-Phenylglycidol, 97%ST50824227((2S,3S)-3-phenyloxiran-2-yl)methan-1-ol

Database identifiers

CAS: 104196-23-8
PubChem CID: 149229
DTXSID: DTXSID401017349
EC Number: 625-708-2
Nikkaji: J281.727F

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 52 · 52-55 °C
Boiling point: 231.72 °C · 231.72°C (rough estimate)
Density: 1.0858 · 1.0858 (rough estimate)
refractive index: 1.523 · 1.5230 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
pka: 14.44 · 14.44±0.10(Predicted)
optical activity: 20 · [α]20/D 49°, c = 2 in chloroform
BRN: 3649607 · 3649607
InChI: 1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m0/s1
InChIKey: PVALSANGMFRTQM-IUCAKERBSA-N
SMILES: OC[C@@H]1O[C@H]1c2ccccc2
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: RR0511130
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

3-Phenylpropene-3-ol

Suppliers12 total

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [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]

上海德轩医药科技有限公司[email protected] · [email protected]

上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]

Related reactions

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Compound notes

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