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Substance Name: Pentamethylbenzoic acid
RN: 2243-32-5
InChIKey: MNLKGWIYXCKWBU-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Synonym

  • EINECS 218-809-4

Systematic Name

  • Pentamethylbenzoic acid

Registry Numbers

CAS Registry Number

  • 2243-32-5

System Generated Number

  • 0002243325

Structure Descriptors

InChI

1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)

InChIKey

MNLKGWIYXCKWBU-UHFFFAOYSA-N

Smiles

c1(c(c(C)c(c(c1C)C)C)C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 210.5 deg C   EXP
log P (octanol-water) 3.510 (none)   EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

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