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Substance Name: 2,4-Dimethylbenzoic acid
RN: 611-01-8
InChIKey: BKYWPNROPGQIFZ-UHFFFAOYSA-N

Note

  • Pseudocumene metabolite.

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • 2,4-Dimethylbenzoic acid

Synonyms

  • 2,4-Dimethylbenzoic acid
  • 4-Carboxy-1,3-dimethylbenzene
  • EINECS 210-246-2
  • NSC 407532

Systematic Names

  • 2,4-Dimethylbenzoic acid
  • Benzoic acid, 2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 611-01-8

System Generated Number

  • 0000611018

Structure Descriptors

InChI

1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)

InChIKey

BKYWPNROPGQIFZ-UHFFFAOYSA-N

Smiles

c1(c(cc(C)cc1)C)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90 deg C   EXP
Boiling Point 268 deg C   EXP
log P (octanol-water) 2.630 (none)   EST
Atmospheric OH Rate Constant 5.71E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.