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Substance Name: Amyl propionate
RN: 624-54-4
UNII: 826P0596UJ
InChIKey: TWSRVQVEYJNFKQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.212
 
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Names and Synonyms

Name of Substance

  • Amyl propionate

Synonyms

  • 4-02-00-00709 (Beilstein Handbook Reference)
  • AI3-24356
  • Amyl propanoate
  • Amyl propionate
  • BRN 1747102
  • EC 210-852-7
  • EINECS 210-852-7
  • n-Amyl propionate
  • n-Amyl propionate (natural)
  • n-Pentyl propanoate
  • n-Pentyl propionate
  • NSC 7931
  • Pentyl propanate
  • Pentyl propanoate
  • Pentyl propionate
  • UNII-826P0596UJ

Systematic Names

  • Pentyl propionate
  • Propanoic acid, pentyl ester
  • Propionic acid, pentyl ester (6CI,7CI,8CI)

Superlist Name

  • n-Pentyl propionate

Registry Numbers

CAS Registry Number

  • 624-54-4

FDA UNII

  • 826P0596UJ

System Generated Number

  • 0000624544

Structure Descriptors

InChI

1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3

InChIKey

TWSRVQVEYJNFKQ-UHFFFAOYSA-N

Smiles

C(OCCCCC)(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 14gm/kg (14000mg/kg) LIVER: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

MUSCULOSKELETAL: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 197, 1992.
rat LD50 oral > 14gm/kg (14000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 197, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.31E+01 deg C   EXP
Boiling Point 168.6 deg C   EXP
log P (octanol-water) 2.830 (none)   EST
Water Solubility 810 mg/L 25 EXP
Vapor Pressure 3.6 mm Hg 25 EXP
Henry's Law Constant 8.43E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.44E-12 cm3/molecule-sec 25 EST

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