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Substance Name: Allyl formate
RN: 1838-59-1
UNII: A9WY6Q0U9C
InChIKey: ZHHZHHSFKCANOC-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
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Names and Synonyms

Name of Substance

  • Allyl formate

Synonyms

  • 3-02-00-00046 (Beilstein Handbook Reference)
  • AI3-24238
  • Allyl formate
  • Allylester kyseliny mravenci
  • Allylester kyseliny mravenci [Czech]
  • BRN 1735668
  • EINECS 217-413-9
  • Formic acid, allyl ester
  • NSC 4735
  • UNII-A9WY6Q0U9C

Systematic Names

  • Allyl formate
  • Formic acid, 2-propen-1-yl ester
  • Formic acid, 2-propenyl ester
  • Formic acid, allyl ester (8CI)

Superlist Names

  • Allyl formate
  • Allyl formate [UN2336] [Flammable liquid]
  • UN2336

Registry Numbers

CAS Registry Number

  • 1838-59-1

FDA UNII

  • A9WY6Q0U9C

System Generated Number

  • 0001838591

Structure Descriptors

InChI

1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2

InChIKey

ZHHZHHSFKCANOC-UHFFFAOYSA-N

Smiles

C(OC=O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 610mg/m3 (610mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.
mouse LD50 oral 96mg/kg (96mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.
rat LC50 inhalation 980mg/m3 (980mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.
rat LD50 oral 124mg/kg (124mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 83.6 deg C   EXP
log P (octanol-water) 0.670 (none)   EST
Atmospheric OH Rate Constant 2.78E-11 cm3/molecule-sec 25 EST

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