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4-Isopropylbenzoic acid

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Name

4-Isopropylbenzoic acid

EINECS 208-642-5
CAS No. 536-66-3 Density 1.08g/cm3
PSA 37.30000 LogP 2.50820
Solubility sparingly soluble in water Melting Point 117-120 °C(lit.)
Formula C10H12O2 Boiling Point 271.8 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 128.1 °C
Transport Information N/A Appearance white crystalline powder
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 536-66-3 (4-Isopropylbenzoic acid) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Benzoicacid, p-isopropyl- (6CI,8CI);4-(1-Methylethyl)benzoic acid;4-Isopropylbenzoicacid;Cumic acid;Cuminic acid;p-Isopropylbenzoic acid;

Article Data 137

4-Isopropylbenzoic acid Chemical Properties

Molecular Structure of 4-Isopropylbenzoic acid (CAS NO.536-66-3):

IUPAC Name: 4-propan-2-ylbenzoic acid
Empirical Formula: C10H12O2
Molecular Weight: 164.2011
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.535
Molar Refractivity: 47.36 cm3
Molar Volume: 152 cm3
Surface Tension: 40.8 dyne/cm
Density: 1.08 g/cm3
Flash Point: 128.1 °C
Enthalpy of Vaporization: 53.89 kJ/mol
Boiling Point: 271.8 °C at 760 mmHg
Vapour Pressure: 0.00308 mmHg at 25°C
EINECS: 208-642-5
Melting point: 117-120 °C(lit.)
Water Solubility: sparingly soluble
InChI
InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
Smiles
c1(C(C)C)ccc(C(O)=O)cc1
Product Categories: Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids

4-Isopropylbenzoic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 215, 1954.

4-Isopropylbenzoic acid Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
RTECS: DH3850500

4-Isopropylbenzoic acid Specification

  4-Isopropylbenzoic acid , with CAS number of 536-66-3, can be called 4-Isopropyl Benzoic Acid; Cuminic acid; 4-(1-Methylethyl)benzoic acid ; 4-(1-methylethyl)-benzoicaci; 4-(1-methylethyl)benzoicacid . It is a white crystalline powder. 4-Isopropylbenzoic acid (CAS NO.536-66-3) is used for pharmaceutical intermediates.

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