CAS
632-46-2 Purity
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632-46-2 Purity
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3,4-Dimethylbenzoic acid
CAS
619-04-5
Catalog Number
ACM619045-1
Category
Solvents
Molecular Weight
149.17
Molecular Formula
C9H9O2
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Specification
Synonyms
Paraxylic Acid
3,4-Dimethylbenzoic acid
3,4-Dimethyl-benzoesaeure
o-Xylene-4-carboxylic Acid
Benzoic acid,3,4-dimethyl
3,4-Dimethylbenzoic acid
3,4-Dimethyl-benzoesaeure
o-Xylene-4-carboxylic Acid
Benzoic acid,3,4-dimethyl
IUPAC Name
3,4-dimethylbenzoate
Canonical SMILES
CC1=CC=C(C=C1C)C([O-])=O
InChI Key
OPVAJFQBSDUNQA-UHFFFAOYSA-M
Boiling Point
294.6±9.0 °C at 760 mmHg
Melting Point
163-165 °C(lit.)
Flash Point
134.9±13.4 °C
Density
1.1±0.1 g/cm3
Application
3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75.
Assay
≥97.5%
Color
White
EC Number
210-576-7
Exact Mass
150.068085
Form
Crystals or powder or crystalline powder
Hazard Codes
Xn:Harmful;
In Vitro Studies
3,4-Dimethylbenzoic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3,4-dimethylcatechol.
LogP
2.82
MDL Number
MFCD00002524
PSA
37.3
Refractive Index
1.55
Vapor Pressure
0.0±0.7 mmHg at 25°C
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