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Substance Name: n-Amyl caproate
RN: 540-07-8
UNII: 5M61M1AL1H
InChIKey: WRFZKAGPPQGDDQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • n-Amyl caproate

Synonyms

  • 4-02-00-00922 (Beilstein Handbook Reference)
  • AI3-06030
  • Amyl caproate
  • Amyl capronate
  • Amyl hexanoate
  • Amyl hexanoate (natural)
  • Amyl hexoate
  • BRN 1760251
  • EINECS 208-732-4
  • FEMA No. 2074
  • Hexanoic acid, pentyl ester
  • n-Amyl caproate
  • NSC 46119
  • Pentyl caproate
  • Pentyl hexanoate
  • UNII-5M61M1AL1H

Systematic Names

  • Hexanoic acid, pentyl ester
  • Pentyl hexanoate

Superlist Name

  • Amyl hexanoate

Registry Numbers

CAS Registry Number

  • 540-07-8

FDA UNII

  • 5M61M1AL1H

System Generated Number

  • 0000540078

Structure Descriptors

InChI

1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

WRFZKAGPPQGDDQ-UHFFFAOYSA-N

Smiles

C(OCCCCC)(CCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 285, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 285, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.70E+01 deg C   EXP
Boiling Point 226 deg C   EXP
log P (octanol-water) 4.300 (none)   EST
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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