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Substance Name: Propanoic acid, 2-hydroxy-, 1-methylethyl ester
RN: 617-51-6
InChIKey: KIWATKANDHUUOB-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C6-H12-O3

Molecular Weight

  • 132.158
 
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Names and Synonyms

Synonyms

  • 1-Methylethyl 2-hydroxypropanoate
  • 3-03-00-00479 (Beilstein Handbook Reference)
  • AI3-00586
  • BRN 1721360
  • EINECS 210-518-0
  • Isopropyl lactate

Systematic Names

  • Isopropyl lactate
  • Lactic acid, isopropyl ester
  • Propanoic acid, 2-hydroxy-, 1-methylethyl ester

Superlist Names

  • Isopropyl lactate
  • Propanoic acid, 2-hydroxy-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 617-51-6

Other Registry Number

  • 73523-03-2

System Generated Number

  • 0000617516

Structure Descriptors

InChI

1S/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3

InChIKey

KIWATKANDHUUOB-UHFFFAOYSA-N

Smiles

C(OC(C)C)([C@@H](C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intramuscular 2500mg/kg (2500mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 167 deg C   EXP
log P (octanol-water) 0.230 (none)   EST
Atmospheric OH Rate Constant 5.85E-12 cm3/molecule-sec 25 EST

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