(3-Phenyloxiranyl)methanol
Basic information
- CAS
104196-23-8- Standard SMILES
OCC1OC1c1ccccc1- InChIKey
PVALSANGMFRTQM-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Overview
(3-phenyloxiran-2-yl)methanol is a member of benzenes.
Names & identifiers
- Preferred name
- (3-Phenyloxiranyl)methanol
- IUPAC
- (3-phenyloxiran-2-yl)methanol
- English name
- (3-phenyloxiranyl)methanol
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
(3-Phenyloxiranyl)methanolEINECS 244-661-5RefChem:400511244-661-5(3-phenyloxiran-2-yl)methanol21915-53-72-Oxiranemethanol,3-phenyl-Oxiranemethanol, 3-phenyl-(3-Phenyl-2-oxiranyl)methanol(3-phenyl-oxiran-2-yl)-methanol98819-68-2(2R,3R)-3-Phenylglycidol
Show more names
3-Phenyloxiranemethanol3-Phenylglycidyl alcohol
(2S,3S)-(-)-3-PhenylglycidolMFCD00618555((2R,3R)-3-phenyloxiran-2-yl)methanol104196-23-83-phenyl-2-Oxiranemethanol[(2R,3R)-3-phenyloxiran-2-yl]methanol2-oxiranemethanol, 3-phenyl-US8815951, Epoxide Hydrolase Inhibitor 19
Database identifiers
- CAS
104196-23-8、21915-53-7- PubChem CID
- 89553
- DTXSID
DTXSID10871329- ChEMBL
CHEMBL3661414- ChEBI
CHEBI:193678- EC Number
- 244-661-5、625-708-2
- Nikkaji
- J225.483B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 26.5 °C · 26.5°C
- Boiling point
- 231.72 °C · 231.72°C (rough estimate)
- Density
- 1.1512 · 1.1512
- refractive index
- 1.5427 · 1.5427 (estimate)
- pka
- 14.44 · 14.44±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
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.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: (3-phenyloxiran-2-yl)methanol is a member of benzenes.
Related reactions
8 records
Compound notes
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