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

Names

[ 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

DownStream

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 ...