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Substance Name: 2(3H)-Furanone, 5-heptyldihydro-
RN: 104-67-6
UNII: QB1T0AG2YL
InChIKey: PHXATPHONSXBIL-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C11-H20-O2

Molecular Weight

  • 184.277
 
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Names and Synonyms

Name of Substance

  • 2(3H)-Furanone, 5-heptyldihydro-
  • 5-Heptyldihydro-2(3H)-furanone
  • gamma-Undecalactone

Synonyms

  • 1,4-Hendecanolide
  • 1,4-Undecanolide
  • 2(3H)-Furanone, 5-heptyldihydro-
  • 4-Hydroxyundecanoic acid lactone
  • 4-Undecanolide
  • 5-17-09-00098 (Beilstein Handbook Reference)
  • 5-Heptyldihydro-2(3H)-furanone
  • AI3-00751
  • Aldehyde C-14 peach
  • BRN 0081943
  • CCRIS 1425
  • delta-Undecalactone
  • EC 203-225-4
  • EINECS 203-225-4
  • FEMA No. 3091
  • gamma-Heptyl-gamma-butyrolactone
  • gamma-n-Heptylbutyrolactone
  • gamma-Undecalactone (natural)
  • gamma-Undecanolactone
  • gamma-Undecanolide
  • gamma-Undekalakton
  • gamma-Undekalakton [Czech]
  • NSC 406421
  • Peach aldehyde
  • Peach lactone
  • Persicol
  • Undecanoic acid, 4-hydroxy-, gamma-lactone
  • UNII-QB1T0AG2YL

Systematic Names

  • 2(3H)-Furanone, 5-heptyldihydro-
  • gamma-Undecalactone
  • Undecan-4-olide
  • Undecanoic acid, 4-hydroxy-, gamma-lactone

Superlist Names

  • Dihydro-5-heptyl-2(3H)-furanone
  • gamma-Undecalactone

Registry Numbers

CAS Registry Number

  • 104-67-6

FDA UNII

  • QB1T0AG2YL

Other Registry Numbers

  • 176201-25-5
  • 57084-17-0

System Generated Number

  • 0000104676

Structure Descriptors

InChI

InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

InChIKey

PHXATPHONSXBIL-UHFFFAOYSA-N

Smiles

CCCCCCCC1CCC(=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 18500mg/kg (18500mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 286 deg C   EXP
log P (octanol-water) 3.060 (none)   EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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