CAS 548-51-6|2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID

Introduction：Basic information about CAS 548-51-6|2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Articles2
6. Synonyms

Common Name	2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
CAS Number	548-51-6	Molecular Weight	194.22700
Density	1.164g/cm3	Boiling Point	316.3ºC at 760mmHg
Molecular Formula	C₁₁H₁₄O₃	Melting Point	127-129ºC(lit.)
MSDS	ChineseUSA	Flash Point	159.3ºC
Symbol	GHS07	Signal Word	Warning

Names

Name	2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.164g/cm3
Boiling Point	316.3ºC at 760mmHg
Melting Point	127-129ºC(lit.)
Molecular Formula	C₁₁H₁₄O₃
Molecular Weight	194.22700
Flash Point	159.3ºC
Exact Mass	194.09400
PSA	57.53000
LogP	2.52220
Index of Refraction	1.562
InChIKey	FNWNGQGTFICQJU-UHFFFAOYSA-N
SMILES	Cc1ccc(C(C)C)c(O)c1C(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GZ6002990

CHEMICAL NAME :: p-Cymene-2-carboxylic acid, 3-hydroxy-

CAS REGISTRY NUMBER :: 548-51-6

BEILSTEIN REFERENCE NO. :: 2578282

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H14-O3

MOLECULAR WEIGHT :: 194.25

WISWESSER LINE NOTATION :: QVR BQ F1 CY1&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 :: 316 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 :: 160 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
Risk Phrases	36/37/38
Safety Phrases	26-37/39
RIDADR	NONH for all modes of transport
RTECS	GZ6002990

Articles2

Structure of the tri-o-thymotide-ethyl methyl sulfoxide (2: 1) clathrate. Crystallographic estimation of the enantioselectivity. Allemand J and Gerdil R.

Acta Crystallogr. B Struct. Sci. Cryst. Eng. Mater. 38(8) , 2312-15, (1982)

Analgesic and anti-inflammatory evaluation of thymotic acid and certain homologs.

J. Pharm. Sci. 57(6) , 989-94, (1968)

Synonyms

3-Isopropyl-6-methylsalicylic acid

2-Thymolcarboxylic acid

Orthothymotic acid

o-Thymotic acid

6-Methyl-3-isopropylsalicylic acid

o-Thymotinic acid

2-Hydroxy-3-isopropyl-6-methylbenzoic acid

o-Thymolcarboxylic acid

thymotic acid

2-Hydroxy-3-isopropyl-6-methyl-benzoesaeure

2-Thymotic acid

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