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Substance Name: Hexyl propionate
RN: 2445-76-3
UNII: 8R2W3UA8JV
InChIKey: GOKKOFHHJFGZHW-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.2392
 
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Names and Synonyms

Name of Substance

  • Hexyl propionate

Synonyms

  • 1-Hexyl propanoate
  • 1-Hexyl propionate
  • 4-02-00-00709 (Beilstein Handbook Reference)
  • AI3-33593
  • BRN 1752269
  • EINECS 219-495-1
  • FEMA No. 2576
  • Hexyl propanoate
  • Hexyl propionate
  • Hexyl propionate (natural)
  • Propanoic acid, hexyl ester
  • Propionic acid, hexyl ester
  • UNII-8R2W3UA8JV

Systematic Names

  • Hexyl propionate
  • Propanoic acid, hexyl ester
  • Propionic acid, hexyl ester (6CI,7CI,8CI)

Superlist Name

  • Hexyl propionate

Registry Numbers

CAS Registry Number

  • 2445-76-3

FDA UNII

  • 8R2W3UA8JV

System Generated Number

  • 0002445763

Structure Descriptors

InChI

1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3

InChIKey

GOKKOFHHJFGZHW-UHFFFAOYSA-N

Smiles

C(=O)(CC)OCCCCCC

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. 355, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 355, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.75E+01 deg C   EXP
Boiling Point 190 deg C   EXP
log P (octanol-water) 3.320 (none)   EST
Atmospheric OH Rate Constant 7.85E-12 cm3/molecule-sec 25 EST

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