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Substance Name: Propyl propionate
RN: 106-36-5
UNII: G09TRV00GK
InChIKey: MCSINKKTEDDPNK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Name of Substance

  • Propyl propionate

Synonyms

  • 4-02-00-00707 (Beilstein Handbook Reference)
  • AI3-24357
  • BRN 1699993
  • EINECS 203-389-7
  • FEMA No. 2958
  • n-Propyl propanoate
  • n-Propyl propionate
  • NSC 72022
  • Propanoic acid, propyl ester
  • Propionic acid, propyl ester
  • Propyl propanoate
  • Propyl propionate
  • Propyl propionate (natural)
  • Propylester kyseliny propionove
  • Propylester kyseliny propionove [Czech]
  • UNII-G09TRV00GK

Systematic Names

  • Propanoic acid, propyl ester
  • Propionic acid, propyl ester
  • Propyl propionate

Superlist Names

  • Propanoic acid, propyl ester
  • Propyl propionate

Registry Numbers

CAS Registry Number

  • 106-36-5

FDA UNII

  • G09TRV00GK

System Generated Number

  • 0000106365

Structure Descriptors

InChI

1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3

InChIKey

MCSINKKTEDDPNK-UHFFFAOYSA-N

Smiles

C(OCCC)(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 16900mg/m3 (16900mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 24gm/m3/2H (24000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982.
rabbit LD50 oral 3950mg/kg (3950mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 14128mg/kg (14128mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 177, 1992.
rat LD50 oral 10331mg/kg (10331mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 175, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.59E+01 deg C   EXP
Boiling Point 122.5 deg C   EXP
log P (octanol-water) 1.850 (none)   EST
Water Solubility 5300 mg/L 25 EXP
Vapor Pressure 13.9 mm Hg 25 EXP
Henry's Law Constant 4.01E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.02E-12 cm3/molecule-sec 25 EXP

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