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Substance Name: Hexyl formate
RN: 629-33-4
UNII: 9GPU7PGV1G
InChIKey: OUGPMNMLWKSBRI-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • Hexyl formate

Synonyms

  • 4-02-00-00031 (Beilstein Handbook Reference)
  • BRN 1701629
  • EINECS 211-087-1
  • FEMA No. 2570
  • Formic acid, hexyl ester
  • Hexyl formate
  • Hexyl methanoate
  • n-Hexyl formate
  • n-Hexyl methanoate
  • NSC 4780
  • UNII-9GPU7PGV1G

Systematic Names

  • Formic acid, hexyl ester
  • Hexyl formate

Superlist Name

  • Hexyl formate

Registry Numbers

CAS Registry Number

  • 629-33-4

FDA UNII

  • 9GPU7PGV1G

System Generated Number

  • 0000629334

Structure Descriptors

InChI

1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3

InChIKey

OUGPMNMLWKSBRI-UHFFFAOYSA-N

Smiles

C(CCCC)COC=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. 351, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 351, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.26E+01 deg C   EXP
Boiling Point 155.5 deg C   EXP
log P (octanol-water) 2.280 (none)   EST
Atmospheric OH Rate Constant 7.39E-12 cm3/molecule-sec 25 EST

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