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Substance Name: 2-Ethyl-2-methyl butanoic acid
RN: 19889-37-3
UNII: 2A3027H97L
InChIKey: LHJPKLWGGMAUAN-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • 2-Ethyl-2-methyl butanoic acid

Synonyms

  • EINECS 243-402-3
  • UNII-2A3027H97L

Systematic Names

  • 2-Ethyl-2-methylbutyric acid
  • Butanoic acid, 2-ethyl-2-methyl-

Registry Numbers

CAS Registry Number

  • 19889-37-3

FDA UNII

  • 2A3027H97L

System Generated Number

  • 0019889373

Structure Descriptors

InChI

1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)

InChIKey

LHJPKLWGGMAUAN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 500uL/kg (0.5mL/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0543350,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 207 deg C   EXP
log P (octanol-water) 2.430 (none)   EST
Atmospheric OH Rate Constant 3.32E-12 cm3/molecule-sec 25 EST

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