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Substance Name: 2,2-Dimethylglutaric acid
RN: 681-57-2
UNII: S46AMQ2G6C
InChIKey: BTUDGPVTCYNYLK-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethylglutaric acid

Synonyms

  • EINECS 211-655-9
  • UNII-S46AMQ2G6C

Systematic Name

  • 2,2-Dimethylglutaric acid

Registry Numbers

CAS Registry Number

  • 681-57-2

FDA UNII

  • S46AMQ2G6C

System Generated Number

  • 0000681572

Structure Descriptors

InChI

1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

BTUDGPVTCYNYLK-UHFFFAOYSA-N

Smiles

C(CCC(O)=O)(C(O)=O)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83-85 deg C   EXP
log P (octanol-water) 0.67 (none)   EXP
Water Solubility 4.54E+04 mg/L 25 EST
Vapor Pressure 1.84E-04 mm Hg 25 EST
Henry's Law Constant 1.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.65E-12 cm3/molecule-sec 25 EST

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