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Structure

2,6-Dimethylbenzoic acid

CAS
632-46-2
Catalog Number
ACM632462
Category
Solvents
Molecular Weight
150.18
Molecular Formula
C9H10O2

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Specification

Synonyms
vic.-m-Xylylic acid
IUPAC Name
2,6-dimethylbenzoic acid
Canonical SMILES
CC1=CC=CC(C)=C1C(O)=O
InChI
1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
HCBHQDKBSKYGCK-UHFFFAOYSA-N
Boiling Point
272.8±9.0 °C at 760 mmHg
Melting Point
114-116 °C(lit.)
Flash Point
126.1±13.4 °C
Density
1.1±0.1 g/cm3
Application
Crystal structure of 2,6-dimethylbenzoic acid was studied by three-dimensional X-ray methods.
Assay
0.97
Beilstein
1863791
Color
White to cream
EC Number
211-177-0
Exact Mass
150.068085
Form
Crystalline powder
Hazard Codes
Xi:Irritant;
Hazard Statements
H315-H319-H335
LogP
2.82
MDL Number
MFCD00002483
NACRES
NA.22
PSA
37.3
PubChem ID
24849646
Refractive Index
1.55
Vapor Pressure
0.0±0.6 mmHg at 25°C
WGK Germany
3
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