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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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)
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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/h3-5H2,1-2H3InChIKey
DKPFZGUDAPQIHT-UHFFFAOYSA-NSmiles
CCCCOC(=O)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.