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Substance Name: n-Amyl formate
RN: 638-49-3
UNII: P46O2510D8
InChIKey: DIQMPQMYFZXDAX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.1588
 
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Names and Synonyms

Results Name

  • n-Amyl formate

Name of Substance

  • Amyl formate

Synonyms

  • 4-02-00-00030 (Beilstein Handbook Reference)
  • AI3-24242
  • Amyl formate
  • Amyl methanoate
  • BRN 1743363
  • EINECS 211-340-6
  • FEMA No. 2068
  • Formic acid, pentyl ester
  • m-Pentyl formate
  • n-Amyl formate
  • n-Pentyl formate
  • n-Pentyl methanoate
  • NSC 72023
  • Pentyl formate
  • Pentyl methanoate
  • UNII-P46O2510D8

Systematic Names

  • Formic acid, pentyl ester
  • Pentyl formate

Superlist Names

  • Amyl formate
  • Formic acid, pentyl ester

Registry Numbers

CAS Registry Number

  • 638-49-3

FDA UNII

  • P46O2510D8

System Generated Number

  • 0000638493

Structure Descriptors

InChI

1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3

InChIKey

DIQMPQMYFZXDAX-UHFFFAOYSA-N

Smiles

C(COC=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 14gm/m3 (14000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mammal (species unspecified) LD50 oral 6300mg/kg (6300mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 649, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 649, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.35E+01 deg C   EXP
Boiling Point 130.4 deg C   EXP
log P (octanol-water) 1.790 (none)   EST
Atmospheric OH Rate Constant 5.98E-12 cm3/molecule-sec 25 EST

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