4-Isopropylbenzoic acid

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Names

[ CAS No. ]:
536-66-3

[ Name ]:
4-Isopropylbenzoic acid

[Synonym ]:
p-cumic acid
EINECS 208-642-5
cumic acid
Benzoic acid, 4-(1-methylethyl)-
4-propan-2-ylbenzoic acid
4-Isopropylbenzoic acid
p-Isopropylbenzoic acid
CuMinic Acid
MFCD00002564

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
271.8±19.0 °C at 760 mmHg

[ Melting Point ]:
117-120 °C(lit.)

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.201

[ Flash Point ]:
128.1±16.2 °C

[ Exact Mass ]:
164.083725

[ PSA ]:
37.30000

[ LogP ]:
3.23

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.535

[ Water Solubility ]:
sparingly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH3850500
CHEMICAL NAME :
Benzoic acid, 4-(1-methylethyl)-
CAS REGISTRY NUMBER :
536-66-3
BEILSTEIN REFERENCE NO. :
1907514
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,215,1954

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH3850500

[ HS Code ]:
2916399090

Precursor & DownStream

Precursor

  • 4-Isopropylbenzaldehyde
  • Cuminol
  • p-cymene
  • Cuminone
  • 1-Iodo-4-isopropylbenzene
  • Malononitrile
  • p-cymene, 7-chloro-
  • Benzoic acid,4-(1-methylethyl)-, methyl ester
  • 2-Iodopropane
  • benzoic acid

DownStream

  • 4-Isopropylbenzoyl chloride
  • ethyl 4-propan-2-ylbenzoate
  • Cumene
  • Cuminol
  • Benzoic acid,4-(1-methylethyl)-, hydrazide
  • trans-4-Isopropylcyclohexanecarboxylic acid
  • Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, cis-
  • cuminyl nitrile
  • Benzamide, 4-(1-methylethyl)- (9CI)
  • 4-(2-Hydroxy-2-propyl)benzoic Acid

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.

Bioorg. Med. Chem. 15 , 2006-15, (2007)

Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-q...

Anaerobic activation of p-cymene in denitrifying betaproteobacteria: methyl group hydroxylation versus addition to fumarate.

Appl. Environ. Microbiol. 80(24) , 7592-603, (2014)

The betaproteobacteria "Aromatoleum aromaticum" pCyN1 and "Thauera" sp. strain pCyN2 anaerobically degrade the plant-derived aromatic hydrocarbon p-cymene (4-isopropyltoluene) under nitrate-reducing c...

Bacterial metabolism of side chain fluorinated aromatics: cometabolism of 4-trifluoromethyl(TFM)-benzoate by 4-isopropylbenzoate grown Pseudomonas putida JT strains.

Arch. Microbiol. 149(3) , 198-206, (1988)

Enzymes of the p-cymene pathway in Pseudomonas putida strains cometabolized the intermediate analogue 4-trifluoromethyl(TFM)benzoate. Three products, 4-TFM-2,3-dihydro-2,3-dihydroxybenzoate, 4-TFM-2,3...


More Articles

Related Compounds

  • 3-Iodo-4-isopropylbenzoic acid
  • 2-bromo-4-isopropylbenzoic acid
  • 2-AMINO-4-ISOPROPYLBENZOIC ACID
  • 3-Bromo-4-isopropylbenzoic acid
  • 3-amino-4-isopropylbenzoic acid
  • 3-Bromo-4-isopropylbenzoic acid
  • rac-(1R,2R)-2-(1-methyl-4-nitro-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
  • 5-(2-isocyanatoethyl)-1-methyl-4-nitro-1H-pyrazole
  • 4-(1-Azido-2-hydroxyethyl)-2,6-dimethoxyphenol
  • tert-butyl N-(2-hydroxy-2-methylpropyl)-N-[(3-methylphenyl)methyl]carbamate
  • tert-butyl (2R,4R)-2-({[(tert-butoxy)carbonyl]amino}methyl)-4-hydroxypyrrolidine-1-carboxylate
  • tert-butyl N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylcarbamate
  • 3-{6,6-Dimethylbicyclo[3.1.1]heptan-2-yl}-2,2-dimethylcyclopropane-1-carboxylic acid
  • tert-butyl N-(5-hydroxy-2-methyl-2H-1,2,3-triazol-4-yl)carbamate
  • 2-{3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanamido]cyclopentyl}acetic acid
  • tert-butyl N-{[3,3-difluoro-1-(sulfanylmethyl)cyclobutyl]methyl}carbamate
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