340979
2-Hydroxy-6-isopropyl-3-methylbenzoic acid
99%
Synonym(s):
o-Carvacrotinic acid
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About This Item
Linear Formula:
HOC6H2[CH(CH3)2](CH3)CO2H
CAS Number:
Molecular Weight:
194.23
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
form
solid
mp
143-145 °C (lit.)
SMILES string
CC(C)c1ccc(C)c(O)c1C(O)=O
InChI
1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChI key
ZHLQYPNVDAMSFD-UHFFFAOYSA-N
General description
2-Hydroxy-6-isopropyl-3-methylbenzoic acid is a multiple-substituted derivative of benzoic acid. Crystal structure of 2-hydroxy-6-isopropyl-3-methylbenzoic acid has been investigated.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Richard Betz et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 5), o1063-o1063 (2011-07-15)
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 between hydroxyl and carboxyl groups, inter-molecular hydrogen bonds are present in the crystal structure, the latter
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