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Substance Name: Decan-4-olide
RN: 706-14-9
UNII: 7HLS05KP9O
InChIKey: IFYYFLINQYPWGJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.25
 
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Names and Synonyms

Name of Substance

  • Decan-4-olide

Synonyms

  • 2(3H)-Furanone, 5-hexyldihydro-
  • 2-Decalactone
  • 4-Hexyl-4-hydroxybutanoic acid lactone
  • 4-Hexyl-gamma-butyrolactone
  • 4-Hydroxydecanoic acid, gamma-lactone
  • 5-17-09-00093 (Beilstein Handbook Reference)
  • 5-Hexyldihydro-2(3H)-furanone
  • 5-Hexyltetrahydro-2-furanone
  • AI3-36026
  • BRN 0117547
  • Decanoic acid, 4-hydroxy-, gamma-lactone
  • Decanoic acid, gamma-lactone
  • Decanolide-1,4
  • EC 211-892-8
  • EINECS 211-892-8
  • FEMA No. 2360
  • gamma-Decalactone
  • gamma-Decalactone (natural)
  • gamma-Hexyl-gamma-butyrolactone
  • gamma-n-Decalactone
  • gamma-n-Hexyl-gamma-butyrolactone
  • Hydroxydecanoic acid gamma-lactone
  • NSC 24248
  • NSC 26510
  • UNII-7HLS05KP9O

Systematic Names

  • 2(3H)-Furanone, 5-hexyldihydro-
  • Decan-4-olide

Superlist Names

  • gamma-Decalactone
  • Hydroxydecanoic acid, gamma-lactone

Registry Numbers

CAS Registry Number

  • 706-14-9

FDA UNII

  • 7HLS05KP9O

Other Registry Numbers

  • 1336-42-1
  • 2825-92-5

System Generated Number

  • 0000706149

Structure Descriptors

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3

InChIKey

IFYYFLINQYPWGJ-UHFFFAOYSA-N

Smiles

CCCCCCC1CCC(=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02795,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.72 (none)   EXP
Water Solubility 292 mg/L 25 EST
Vapor Pressure 5.12E-03 mm Hg 25 EST
Henry's Law Constant 5.62E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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