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Substance Name: n-Butyl acetate
RN: 123-86-4
UNII: 464P5N1905
InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 

Classification Codes

Classification Codes

  • Human Data
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (150 ppm); STEL (200 ppm)
  • TWA 150 ppm (710 mg/m3)

Names and Synonyms

Name of Substance

  • Acetic acid, butyl ester
  • Butyl acetate
  • n-Butyl acetate

Synonyms

  • 1-Butyl acetate
  • 4-02-00-00143 (Beilstein Handbook Reference)
  • Acetate de butyle
  • Acetate de butyle [French]
  • Acetic acid n-butyl ester
  • Acetic acid, butyl ester
  • AI3-00406
  • BRN 1741921
  • Butile (acetati di)
  • Butile (acetati di) [Italian]
  • Butyl acetate
  • Butyl ethanoate
  • Butylacetat
  • Butylacetat [German]
  • Butylacetaten
  • Butylacetaten [Dutch]
  • Butyle (acetate de)
  • Butyle (acetate de) [French]
  • Butylester kyseliny octove
  • Butylester kyseliny octove [Czech]
  • CCRIS 2287
  • EC 204-658-1
  • EINECS 204-658-1
  • HSDB 152
  • n-Butyl acetate
  • n-Butyl acetate (natural)
  • n-Butyl ethanoate
  • NSC 9298
  • Octan n-butylu
  • Octan n-butylu [Polish]
  • UNII-464P5N1905

Systematic Names

  • Acetic acid, butyl ester
  • Butyl acetate
  • n-Butyl acetate

Superlist Names

  • Acetic acid, butyl ester
  • Butyl acetate
  • Butyl acetate, n-
  • n-Butyl acetate
  • n-Butyl acetate [UN1123] [Flammable liquid]
  • UN1123

Registry Numbers

CAS Registry Number

  • 123-86-4

FDA UNII

  • 464P5N1905

System Generated Number

  • 0000123864

Structure Descriptors

InChI

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

InChIKey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

Smiles

CCCCOC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 68gm/m3/72M (68000mg/m3) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA		 Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
guinea pig LCLo inhalation 67gm/m3/4H (67000mg/m3) BEHAVIORAL: ANTIPSYCHOTIC

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE		 Food and Cosmetics Toxicology. Vol. 17, Pg. 515, 1979.
guinea pig LD50 oral 4700mg/kg (4700mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982.
guinea pig LDLo intramuscular 2648mg/kg (2648mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.
guinea pig LDLo intraperitoneal 1500mg/kg (1500mg/kg)   American Industrial Hygiene Association Journal. Vol. 35, Pg. 21, 1974.
guinea pig LDLo intraperitoneal 1500mg/kg (1500mg/kg) LIVER: FATTY LIVER DEGERATION American Industrial Hygiene Association Journal. Vol. 35, Pg. 21, 1974.
human TCLo inhalation 200ppm (200ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE		 Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943.
mammal (species unspecified) LC50 inhalation 40gm/m3 (40000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 4300mg/kg (4300mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 unreported 1592mg/kg (1592mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 6gm/m3/2H (6000mg/m3)   Yakkyoku. Pharmacy. Vol. 32, Pg. 1241, 1981.
mouse LD50 intraperitoneal 1230mg/kg (1230mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
mouse LD50 oral 6gm/kg (6000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981.
rabbit LD50 oral 3200mg/kg (3200mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982.
rabbit LD50 skin > 17600mg/kg (17600mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 7, 1974.
rat LC50 inhalation 390ppm/4H (390ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: HEMORRHAGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Inhalation Toxicology. Vol. 9, Pg. 623, 1997.
rat LD50 oral 10768mg/kg (10768mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 196, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.80E+01 deg C   EXP
Boiling Point 126.1 deg C   EXP
log P (octanol-water) 1.78 (none)   EXP
Water Solubility 8400 mg/L 25 EXP
Vapor Pressure 11.5 mm Hg 25 EXP
Henry's Law Constant 2.81E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.90E-12 cm3/molecule-sec 25 EXP

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