Skip to Content
MilliporeSigma
All Photos(1)

Documents

340979

Sigma-Aldrich

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

99%

Synonym(s):

o-Carvacrotinic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
HOC6H2[CH(CH3)2](CH3)CO2H
CAS Number:
4389-53-1
Molecular Weight:
194.23
MDL number:
MFCD00075213
UNSPSC Code:
12352100
PubChem Substance ID:
24860883
NACRES:
NA.22

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service