CAS
666-52-4 Purity
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666-52-4 Purity
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3,5-Dimethylphenylacetic acid
CAS
42288-46-0
Catalog Number
ACM42288460
Category
Solvents
Molecular Weight
163.2
Molecular Formula
C10H11O2
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Specification
Synonyms
2-(3,5-dimethylphenyl)acetic acid
3,5-Dimethylphenylacetic Acid
3,5-Dimethylphenylacetic Acid
IUPAC Name
2-(3,5-dimethylphenyl)acetate
Canonical SMILES
CC1=CC(CC([O-])=O)=CC(C)=C1
InChI
1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key
HDNBKTWQBJJYPD-UHFFFAOYSA-M
Boiling Point
291ºC at 760 mmHg
Melting Point
98-102ºC
Flash Point
188.1ºC
Density
1.098 g/cm3
Application
It is an active pharmaceutical intermediate.
Assay
≥98.0%
Color
White to cream
Exact Mass
164.084
Form
Crystals or powder or crystalline powder
Hazard Codes
Xi:Irritant;
LogP
1.9305
MDL Number
MFCD00082776
PSA
37.3
PubChem ID
329780159
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