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Substance Name: Lactic acid, hexyl ester, lactate (ester)
RN: 73747-55-4
InChIKey: GVMIXAYWPARWDD-UHFFFAOYSA-N

Molecular Formula

  • C12-H22-O5

Molecular Weight

  • 246.301
 
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Names and Synonyms

Synonyms

  • 4-03-00-00671 (Beilstein Handbook Reference)
  • BRN 1790783
  • Lactic acid, hexyl ester, lactate (ester)
  • NSC 79278

Systematic Names

  • Lactic acid, hexyl ester, lactate (ester)
  • Propanoic acid, 2-hydroxy-, 2-(hexyloxy)-1-methyl-2-oxoethyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 73747-55-4

System Generated Number

  • 0073747554

Structure Descriptors

InChI

1S/C12H22O5/c1-4-5-6-7-8-16-12(15)10(3)17-11(14)9(2)13/h9-10,13H,4-8H2,1-3H3

InChIKey

GVMIXAYWPARWDD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02523,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.740 (none)   EST
Water Solubility 800 mg/L 25 EXP
Atmospheric OH Rate Constant 1.09E-11 cm3/molecule-sec 25 EST

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