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3508-94-9

Basic Information
CAS No.: 3508-94-9
Name: 2-Isopropyl-2-phenylacetic acid
Article Data: 27
Molecular Structure:
Molecular Structure of 3508-94-9 (2-Isopropyl-2-phenylacetic acid)
Formula: C11H14 O2
Molecular Weight: 178.231
Synonyms: Butyricacid, 3-methyl-2-phenyl- (6CI,7CI,8CI); (RS)-2-Phenyl-3-methylbutanoic acid; (?à)-2-Phenyl-3-methylbutyric acid;(?à)-a-Isopropylphenylacetic acid; 3-Methyl-2-phenylbutanoicacid; 3-Methyl-2-phenylbutyric acid; NSC 22982; a-(1-Methylethyl)benzeneacetic acid; a-Isopropylphenylacetic acid
Density: 1.063g/cm3
Melting Point: 59-61°C
Boiling Point: 282°Cat760mmHg
Flash Point: 179.2°C
Solubility: Slightly soluble in water.
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety:
Risk Statements 36/37/38
Safety Statements 26-36
RTECS ET5750060
PSA: 37.30000
LogP: 2.51080
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Chemistry

Molecular Structure:

Molecular Formula: C11H14O2
Molecular Weight: 178.23
IUPAC Name: 3-Methyl-2-phenylbutanoic acid
Synonyms of 2-Isopropyl-2-phenylacetic acid (CAS NO.3508-94-9): 3-09-00-02518 (Beilstein Handbook Reference) ; 3-Methyl-2-phenyl-butyric acid ; BRN 2045915 ; NSC 22982 ; Alpha-Isopropylphenylacetic acid ; Benzeneacetic acid, alpha-(1-methylethyl)- (9CI) ; Butyric acid, 3-methyl-2-phenyl-
CAS NO: 3508-94-9
Classification Code: Drug / Therapeutic Agent 
Melting Point: 59-61°C 
Index of Refraction: 1.523
Molar Refractivity: 51.22 cm3
Molar Volume: 167.5 cm3
Surface Tension: 39.9 dyne/cm
Density: 1.063 g/cm3
Flash Point: 179.2 °C
Enthalpy of Vaporization: 55.02 kJ/mol
Boiling Point: 282 °C at 760 mmHg
Vapour Pressure of 2-Isopropyl-2-phenylacetic acid (CAS NO.3508-94-9): 0.00163 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1193mg/kg (1193mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.

Safety Profile

Risk Statements of 2-Isopropyl-2-phenylacetic acid (CAS NO.3508-94-9): 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
RTECS: ET5750060