2-HYDROXY-6-ISOPROPYL-3-METHYLBENZOIC ACID

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Names

[ CAS No. ]:
4389-53-1

[ Name ]:
2-HYDROXY-6-ISOPROPYL-3-METHYLBENZOIC ACID

[Synonym ]:
o-Carvacrotic acid
2-Hydroxy-3-methyl-6-isopropylbenzoic acid
2-Hydroxy-p-cymene-3-carboxylic acid
MFCD00075213
2-Hydroxy-6-isopropyl-3-methyl-benzoesaeure
3-Methyl-6-isopropyl-salicylsaeure
o-Carvacrotinic acid
2-Hydroxy-6-isopropyl-3-methylbenzoic acid
o-Carvacrotinsaeure
6-Isopropyl-3-methylsalicylic acid

Chemical & Physical Properties

[ Density]:
1.164g/cm3

[ Boiling Point ]:
323ºC at 760mmHg

[ Melting Point ]:
143-145ºC(lit.)

[ Molecular Formula ]:
C11H14O3

[ Molecular Weight ]:
194.22700

[ Flash Point ]:
163.4ºC

[ Exact Mass ]:
194.09400

[ PSA ]:
57.53000

[ LogP ]:
2.52220

[ Index of Refraction ]:
1.562

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GZ6003000
CHEMICAL NAME :
p-Cymene-3-carboxylic acid, 2-hydroxy-
CAS REGISTRY NUMBER :
4389-53-1
BEILSTEIN REFERENCE NO. :
2615957
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QVR BQ C1 FY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
237 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,989,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
216 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 20,506,1965

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 ]:
Xi: Irritant;

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-37/39

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
GZ6003000

[ HS Code ]:
2918290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Isopropyl-2-methylphenol
  • Carbon dioxide
  • Carbonic acid

DownStream

  • Tricarvocrotide
  • 4,10-dimethyl-1,7-di(propan-2-yl)benzo[c][1,5]benzodioxocine-6,12-dione

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles

2-Hy-droxy-6-isopropyl-3-methyl-benzoic acid.

Acta Crystallogr. Sect. E Struct. Rep. Online 67(Pt 5) , o1063, (2011)

The title compound, C(11)H(14)O(3), is a multiple-substituted derivative of benzoic acid. Intra-cyclic C-C-C angles span a range of 117.16 (19)-122.32 (19)°. Apart from intra-molecular hydrogen bonds ...


More Articles

Related Compounds

  • 2-Hydroxy-6-isopropyl-3-methyl-1-cyclohexanon
  • 5-bromo-2-hydroxy-3-methylbenzoic acid
  • 1-(2-hydroxy-6-isopropyl-3-methylphenyl)ethane-1,2-diol
  • 6-Methylsalicylic acid
  • 5-[(4-Fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
  • 5-[(4-aminobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine