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Substance Name: Isoamyl propionate
RN: 105-68-0
UNII: 2A8739M82Z
InChIKey: XAOGXQMKWQFZEM-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.212
 
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Names and Synonyms

Name of Substance

  • Isoamyl propionate

Synonyms

  • 1-Butanol, 3-methyl-, propanoate
  • 3-Methyl-1-butyl propanoate
  • 3-Methylbutyl propanoate
  • 3-Methylbutyl propionate
  • 4-02-00-00709 (Beilstein Handbook Reference)
  • AI3-33594
  • BRN 1747359
  • EINECS 203-322-1
  • FEMA No. 2082
  • iso-Pentyl propionate
  • Isoamyl propanoate
  • Isoamyl propionate
  • Isoamyl propionate (natural)
  • Isopentyl alcohol, propionate
  • Isopentyl propanoate
  • Isopentyl propionate
  • NSC 7932
  • Propionic acid, isopentyl ester
  • UNII-2A8739M82Z

Systematic Names

  • 1-Butanol, 3-methyl-, 1-propanoate
  • 1-Butanol, 3-methyl-, propanoate
  • Isopentyl alcohol, propionate
  • Isopentyl propionate

Superlist Name

  • Isoamyl propionate

Registry Numbers

CAS Registry Number

  • 105-68-0

FDA UNII

  • 2A8739M82Z

System Generated Number

  • 0000105680

Structure Descriptors

InChI

1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3

InChIKey

XAOGXQMKWQFZEM-UHFFFAOYSA-N

Smiles

C(OCCC(C)C)(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 6924mg/kg (6924mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 5mL/kg (5mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975.
rat LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Ernaehrungsforschung. Vol. 7, Pg. 211, 1962.
rat LD50 oral > 5mL/kg (5mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 160.2 deg C   EXP
log P (octanol-water) 2.760 (none)   EST
Atmospheric OH Rate Constant 6.43E-12 cm3/molecule-sec 25 EST

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