(2S,3S)-(-)-3-Phenylglycidol
Basic information
- CAS
104196-23-8- Standard SMILES
OC[C@@H]1O[C@@H]1c1ccccc1- InChIKey
PVALSANGMFRTQM-DTWKUNHWSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- (2S,3S)-(-)-3-Phenylglycidol
- IUPAC
- [(2S,3R)-3-phenyloxiran-2-yl]methanol
- English name
- (2S,3S)-(-)-3-Phenylglycidol
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
(2S,3S)-(-)-3-Phenylglycidol99528-63-9[(2S,3R)-3-phenyloxiran-2-yl]methanolSCHEMBL9543216DTXSID701017350(2S,3R)-3-Phenyl-2-oxiranemethanolOxiranemethanol, 3-phenyl-, (2S,3R)-Oxiranemethanol, 3-phenyl-, (2S-cis)-(2s,3s)-phenylglycidol(2S,3S)-3-PHENYLGLYCIDOL(2s-trans)-oxiranemethano(2S,3S)-(-)-3-Phenylglycydol
Show more names
(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%
Database identifiers
- CAS
104196-23-8、99528-63-9- PubChem CID
- 188583
- DTXSID
DTXSID701017350- EC Number
- 625-708-2
- Nikkaji
- J836.826K
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
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
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 511130 · RR0511130
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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.
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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