ChemicalBook CAS DataBase List 548-51-6

548-51-6

Name	2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
CAS	548-51-6
EINECS(EC#)	208-949-4
Molecular Formula	C11H14O3
MDL Number	MFCD00020270
Molecular Weight	194.23
MOL File	548-51-6.mol

Synonyms

Nsc76970 thymotic acid o-thymoticacid thymotinic acid o-Thymotinic acid o-thymolcarboxylicacid 2-thymolcarboxylicacid 3-hydroxy-p-cymene-2-carboxylicaci 2-methyl-5-isopropylsalicyclicacid 6-Methyl-3-isopropylsalicylic acid 3-ISOPROPYL-6-METHYLSALICYLIC ACID 6-Hydroxy-5-isopropyl-o-toluic acid 3-Hydroxy-2-p-cymenecarboxylic acid 3-hydroxy-p-cymene-2-carboxylicacid 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID 2-Hydroxy-3-isopropyl-6-methylbenzoic acid 98% 2-hydroxy-6-methyl-3-(1-methylethyl)-benzoicaci 2-hydroxy-6-methyl-3-(1-methylethyl)benzoicacid Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)-

Chemical Properties

Melting point	127-129 °C (lit.)
Boiling point	290.67°C (rough estimate)
density	1.1130 (rough estimate)
refractive index	1.5087 (estimate)
pka	2.95±0.25(Predicted)
Water Solubility	>0.5g/L(temperature not stated)
Merck	13,9485
InChI	1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKey	FNWNGQGTFICQJU-UHFFFAOYSA-N
SMILES	CC(C)c1ccc(C)c(C(O)=O)c1O

Safety Data

Hazard Codes	Xi
Risk Statements	36/37/38 less more
Safety Statements	26-37/39 less more
WGK Germany	3
RTECS	GZ6002990
HazardClass	IRRITANT
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Toxicity	mouse,LD50,intraperitoneal,160mg/kg (160mg/kg),Farmaco, Edizione Scientifica. Vol. 20, Pg. 506, 1965. less more

Hazard Information

Spectrum Detail

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