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Substance Name: n-Propyl acetate
RN: 109-60-4
UNII: 4AWM8C91G6
InChIKey: YKYONYBAUNKHLG-UHFFFAOYSA-N

Note

  • Affects aggression without affecting motor activity.

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (200 ppm); STEL (250 ppm)
  • TWA 200 ppm (840 mg/m3)

Names and Synonyms

Name of Substance

  • Acetic acid, propyl ester
  • n-Propyl acetate
  • Propyl acetate

Synonyms

  • 1-Acetoxypropane
  • 1-Propyl acetate
  • 4-02-00-00138 (Beilstein Handbook Reference)
  • Acetate de propyle normal
  • Acetate de propyle normal [French]
  • Acetic acid n-propyl ester
  • Acetic acid, propyl ester
  • AI3-24156
  • BRN 1740764
  • EC 203-686-1
  • EINECS 203-686-1
  • FEMA No. 2925
  • HSDB 161
  • n-Propyl acetate
  • n-Propyl acetate (natural)
  • n-Propyl ethanoate
  • NSC 72025
  • Octan propylu
  • Octan propylu [Polish]
  • Propyl acetate
  • Propyl ethanoate
  • Propylester kyseliny octove
  • Propylester kyseliny octove [Czech]
  • UNII-4AWM8C91G6

Systematic Names

  • Acetic acid, propyl ester
  • Propyl acetate

Superlist Names

  • Acetic acid, propyl ester
  • n-Propyl acetate
  • n-Propyl acetate [UN1276] [Flammable liquid]
  • Propyl acetate
  • UN1276

Registry Numbers

CAS Registry Number

  • 109-60-4

FDA UNII

  • 4AWM8C91G6

System Generated Number

  • 0000109604

Structure Descriptors

InChI

1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

InChIKey

YKYONYBAUNKHLG-UHFFFAOYSA-N

Smiles

O(C(C)=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 38gm/m3/5H (38000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

BLOOD: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
cat LDLo subcutaneous 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
guinea pig LDLo subcutaneous 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
human TCLo inhalation 1000mg/m3 (1000mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: COUGH
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
mouse LD50 intraperitoneal 1420mg/kg (1420mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.
mouse LD50 oral 8300mg/kg (8300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 oral 6640mg/kg (6640mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 1/25/1965,
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 9370mg/kg (9370mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.30E+01 deg C   EXP
Boiling Point 101.5 deg C   EXP
log P (octanol-water) 1.24 (none)   EXP
Water Solubility 1.89E+04 mg/L 20 EXP
Vapor Pressure 35.9 mm Hg 25 EXP
Henry's Law Constant 2.18E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.40E-12 cm3/molecule-sec 25 EXP

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