3-Methylbenzoic acid | CAS No. 99-04-7

3-Methylbenzoic acid

Basic Information

CAS Number

99-04-7

Molecular Formula

C8H8O2

Molecular Weight

136.15 g/mol

AD

Basic Physical Properties

Melting Point

107-113 °C

Boiling Point

263 °C

Density

1.054 g/mL at 25 °C

Water Solubility

<0.1 g/100 mL at 19 ºC

Solubility

Soluble in alcohol and ether.

Refractive Index

1.509

CC1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

GPSDUZXPYCFOSQ-UHFFFAOYSA-N

LogP

1.69322

pKa

4.27(at 25℃)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

131

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • NSC 2214
  • BENZOIC ACID,3-METHYL
  • NSC2214
  • T0291
  • NCGC00091271-02
  • AKOS000120442
  • m-Toluylate
  • AI3-15626
  • m-Toluic acid, ReagentPlus(R), 99%
  • m-methyl-benzoic acid
  • C07211
  • NCGC00256583-01
  • EINECS 202-723-9
  • 99-04-7
  • D70873
  • CHEMBL67450
  • 3-methyl-benzoate
  • meta-methylbenzoic acid
  • M-ToluicAcidForSynthesis
  • 1UA7K8EEXT
  • MFCD00002523
  • beta-Bethylbenzoic acid
  • meta-toluate
  • BDBM50405326
  • META TOLUIC ACID
  • InChI=1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10
  • Tox21_201591
  • M-TOLUIC-D7 ACID
  • AS-10810
  • 3-Methylbenzoic acid
  • 3-Methylbenzoic acid(Flakes or Chunks or Granular)

MDL Number

MFCD00002523

Customs Code

29163900

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