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