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Substance Name: Methyl propionate
RN: 554-12-1
UNII: NB21C0D33W
InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 
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Names and Synonyms

Name of Substance

  • Methyl propionate

Synonyms

  • 4-02-00-00704 (Beilstein Handbook Reference)
  • AI3-10621
  • BRN 1737628
  • EINECS 209-060-4
  • FEMA No. 2742
  • FEMA Number 2742
  • HSDB 5688
  • Methyl propanoate
  • Methyl propionate
  • Methyl Propionate (natural)
  • Methyl propylate
  • Methylester kyseliny propionove
  • Methylester kyseliny propionove [Czech]
  • NSC 9375
  • Propanoic acid, methyl ester
  • Propionate de methyle
  • Propionate de methyle [French]
  • Propionic acid, methyl ester
  • UNII-NB21C0D33W

Systematic Names

  • Methyl propionate
  • Propanoic acid, methyl ester
  • Propionic acid, methyl ester

Superlist Names

  • Methyl propionate
  • Methyl propionate [UN1248] [Flammable liquid]
  • Propanoic acid, methyl ester
  • Propionic acid, methyl ester
  • UN1248

Registry Numbers

CAS Registry Number

  • 554-12-1

FDA UNII

  • NB21C0D33W

System Generated Number

  • 0000554121

Structure Descriptors

InChI

1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

InChIKey

RJUFJBKOKNCXHH-UHFFFAOYSA-N

Smiles

C(=O)(CC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 27gm/m3 (27000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.
mouse LD50 oral 3460mg/kg (3460mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 765, 1982.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 765, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.75E+01 deg C   EXP
Boiling Point 79.8 deg C   EXP
log P (octanol-water) 0.84 (none)   EXP
Water Solubility 6.24E+04 mg/L 25 EXP
Vapor Pressure 84 mm Hg 25 EXP
Henry's Law Constant 1.74E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.00E-12 cm3/molecule-sec 25 EXP

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