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617-94-7

Basic Information
CAS No.: 617-94-7
Name: 2-PHENYL-2-PROPANOL
Article Data: 597
Molecular Structure:
Molecular Structure of 617-94-7 (2-PHENYL-2-PROPANOL)
Formula: C9H12 O
Molecular Weight: 136.194
Synonyms: Benzylalcohol, a,a-dimethyl- (8CI); 1-Hydroxycumene;1-Methyl-1-phenylethanol; 2-Hydroxy-2-phenylpropane; 2-Phenyl-2-propanol; 2-Phenylisopropanol;2-Propanol, 2-phenyl-; Dimethylphenylcarbinol; Dimethylphenylmethanol; NSC1261; NSC 212537; Phenyldimethylcarbinol; a,a-Dimethylbenzenemethanol; a,a-Dimethylbenzyl alcohol; a-Cumyl alcohol
EINECS: 210-539-5
Density: 0.973 g/mL at 25 °C(lit.)
Melting Point: 28-32 °C(lit.)
Boiling Point: 202 °C(lit.)
Flash Point: 190 °F
Solubility: Insoluble in water.
Appearance: after melting, clear slightly yellow solid or liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: Moderately toxic by ingestion. Mildly toxic by skin contact. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Transport Information: 1325
PSA: 20.23000
LogP: 1.91400
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Chemistry

IUPAC Name: 2-phenylpropan-2-ol 
Molecular Formula: C9H12O
Molecular Weight: 136.21g/mol
EINECS: 210-539-5
Liansport Information: 1325
Appearance: clear slightly yellow solid or liquid after melting
Density: 0.973 g/mL at 25 °C(lit.)
Melting Point: 28-32 °C(lit.)
Boiling Point: 202 °C(lit.)
Flash Point: 87.8 °C 
Storage Temperature:  store at 0-5°C
Freely Rotating Bonds: 2 
Polar Surface Area: 9.23 Å2 
Index of Refraction: 1.517 
Molar Refractivity: 41.54 cm3 
Molar Volume: 137.1 cm3 
Polarizability: 16.46 ×10-24cm3 
Surface Tension: 34.4 dyne/cm 
Enthalpy of Vaporization: 46.33 kJ/mol 
Vapour Pressure: 0.183 mmHg at 25°C 
   The chemical synonyms of Dimethylphenylmethanol (617-94-7) are  1-Hydroxycumene ; 1-Methyl-1-phenylethanol ; 2-Phenyl-2-propano ; 2-Phenylisopropanol ; 2-Phenyl-propan-2-ol ; 2-Propanol, 2-phenyl- ; Alpha,alpha-dimethyl-benzenemethano .The molecular structure of  Dimethylphenylmethanol (617-94-7) is .

Uses

  Dimethylphenylmethanol (617-94-7) can be used in organic synthesis.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H SEV

    FCTOD7    Food and Chemical Toxicology. 20 (Suppl)(1982),675.
2.    

orl-rat LD50:1300 mg/kg

    FCTOD7    Food and Chemical Toxicology. 20 (Suppl)(1982),675.
3.    

orl-mus LD50:1400 mg/kg

    ESKGA2    Eisei Kagaku. 24 (1978),115.
4.    

skn-rbt LD50:4300 mg/kg

    FCTOD7    Food and Chemical Toxicology. 20 (Suppl)(1982),675.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Mildly toxic by skin contact. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:  F,Xn
F:  Highly flammable
Xn: Harmful 
Risk Statements:  11-22-36/37/38
11:  Highly flammable
22:  Harmful if swallowed
36/37/38:  Irritating to eyes, respiratory system and skin
Safety Statements:  26-36-37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37/39:  Wear suitable gloves and eye/face protection