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Substance Name: tert-Butylacetic acid
RN: 1070-83-3
UNII: Q80K0TZQ55
InChIKey: MLMQPDHYNJCQAO-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Name of Substance

  • tert-Butylacetic acid

Synonyms

  • 3,3-Dimethylbutanoic acid
  • 3,3-Dimethylbutyric acid
  • AI3-19252
  • EINECS 213-982-2
  • NSC 4537
  • tert-Butylacetic acid
  • UNII-Q80K0TZQ55

Systematic Names

  • 3,3-Dimethylbutyric acid
  • Butanoic acid, 3,3-dimethyl-
  • Butyric acid, 3,3-dimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1070-83-3

FDA UNII

  • Q80K0TZQ55

Other Registry Number

  • 852148-42-6

System Generated Number

  • 0001070833

Structure Descriptors

InChI

1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)

InChIKey

MLMQPDHYNJCQAO-UHFFFAOYSA-N

Smiles

C(CC(O)=O)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 6.5 deg C   EXP
Boiling Point 190 deg C   EXP
log P (octanol-water) 1.940 (none)   EST
Atmospheric OH Rate Constant 1.88E-12 cm3/molecule-sec 25 EST

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