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98819-68-2

Basic Information
CAS No.: 98819-68-2
Name: (2R,3R)-3-Phenylglycidol
Article Data: 187
Molecular Structure:
Molecular Structure of 98819-68-2 ((2R,3R)-3-Phenylglycidol)
Formula: C9H10 O2
Molecular Weight: 150.177
Synonyms: Oxiranemethanol,3-phenyl-, (2R,3R)- (9CI); Oxiranemethanol, 3-phenyl-, (2R-trans)-;((2R,3R)-3-Phenyloxiran-2-yl)methanol; ((2R,3R)-3-Phenyloxiranyl)methanol;(2R,3R)-(+)-3-Phenylglycidol; (2R,3R)-3-Phenylglycidol;(2R,3R)-trans-3-Phenyloxirane-2-methanol
Density: 1.182g/cm3
Melting Point: 49-53 °C
Boiling Point: 277.5°Cat760mmHg
Flash Point: 129.5°C
Hazard Symbols:
Risk Codes: 40-36/37/38-20/21/22
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 32.76000
LogP: 1.11880
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Chemistry

Molecular Formula: C9H10O2
Molar mass: 150.174 g/mol
Density: 1.182 g/cm3
Flash Point: 129.5 °C
Melting point: 49-53 °C
Storage temp: -20 °C
Index of Refraction: 1.567
Boiling Point: 277.5 °C at 760 mmHg
Vapour Pressure: 0.00217 mmHg at 25 °C
Appearance: Very slightly yellow crystalline powder
Product categories of (2R,3R)-3-Phenylglycidol (CAS NO.98819-68-2): Epoxyde
Structure of (2R,3R)-3-Phenylglycidol (CAS NO.98819-68-2):
                        
XLogP3-AA: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: [(2R,3R)-3-Phenyloxiran-2-yl]methanol
Canonical SMILES: C1=CC=C(C=C1)C2C(O2)CO
Isomeric SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O2)CO
InChI: InChI=1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m1/s1 
InChIKey: PVALSANGMFRTQM-RKDXNWHRSA-N

Toxicity Data With Reference

1.    

sce-ham-lng 625 µmol/L

    MUREAV    Mutation Research. 278 (1992),289.

Carcinogenicity of (2R,3R)-3-Phenylglycidol (CAS NO.98819-68-2) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
 

Hazard Codes: HarmfulXn
Risk Statements: 40-36/37/38-20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 45-36/37/39-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
 

Specification

 (2R,3R)-3-Phenylglycidol ,its cas register number is 98819-68-2. It also can be called Oxiranemethanol, 3-phenyl-, (2R-trans)- ; (2R,3R)-(+)-2,3-Epoxy-3-phenyl-1-propanol and 3-Phenyloxiranemethanol (2R-trans)- .
 (2R,3R)-3-Phenylglycidol (CAS NO.98819-68-2) is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, (2R,3R)-3-Phenylglycidol (CAS NO.98819-68-2) is moisture sensitive,and may be sensitive to peroxide formation. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.