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Compound Summary

General Compound Information

butyl acetate

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Description

Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It derives from a butan-1-ol.

Synonyms

Butyl acetate; N-BUTYL ACETATE; 123-86-4; Acetic acid, butyl ester; Butyl ethanoate;

1-Butyl acetate;Acetic Acid Butyl Ester;n-Butylacetate;n-Butyl ethanoate;Butylacetat;Acetic acid n-butyl ester;Acetate de butyle;Butylacetaten;1-acetoxybutane;Octan n-butylu;Butyle (acetate de);Butylester kyseliny octove;Butyl ester of acetic acid;NSC 9298;Butile(acetati di);1-Butanol, acetate;MFCD00009445;CH3COO(CH2)3CH3;n-Butyl acetate, HPLC Grade;DTXSID3021982;CHEBI:31328;NSC-9298;1-Butylacetate;464P5N1905;Butyl acetate, n-;Butylacetat [German];Butylacetaten [Dutch];Octan n-butylu [Polish];n-Butyl acetate (natural);Acetate de butyle [French];Butyle (acetate de) [French];Butile (acetati di);CCRIS 2287;HSDB 152;Butile (acetati di) [Italian];Butylester kyseliny octove [Czech];EINECS 204-658-1;BRN 1741921;ACETIC ACID,BUTYL ESTER;AI3-00406;nBuOAc;acetic acid butyl;AcOBu;BuOAc;UNII-464P5N1905;n-BuOAc;Butyle(acetate de);Essigsaeurebutylester;normal-butyl acetate;Nat. Butyl Acetate;Essigsaeure-n-butylester;Butyl ester, acetic acid;EC 204-658-1;Acetic acid, n-butyl ester;BUTYL ACETATE [FCC];SCHEMBL14969;BUTYL ACETATE [FHFI];BUTYL ACETATE [INCI];4-02-00-00143 (Beilstein Handbook Reference);WLN: 4OV1;N-BUTYL ACETATE [MI];n-Butyl acetate, ACS reagent;BUTYL ACETATE [MART.];BUTYL ESTER ACETIC ACID;Butyl acetate, AR, 99.5%;Butyl acetate, LR, >=98%;CHEMBL284391;DTXCID101982;BUTYL ACETATE [USP-RS];N-BUTYL ACETATE [HSDB];FEMA NO. 2174;Butyl Acetate (Fragrance Grade);Butyl Acetate Reagent ACS Grade;Butyl Acetate (Industrial Grade);n-Butyl acetate Biochemical grade;NSC9298;Butyl acetate, ampule of 100 mg;Butyl acetate, analytical standard;Butyl acetate, anhydrous, >=99%;AMY11075;ZINC1699905;Butyl acetate, for HPLC, 99.7%;n-Butyl acetate, analytical standard;Tox21_201052;n-Butyl acetate, Semiconductor Grade;STL282735;Butyl acetate, >=99%, FCC, FG;AKOS000120198;Butyl acetate, natural, >=98%, FG;Butyl acetate, ACS reagent, >=99.5%;Butyl acetate, ReagentPlus(R), 99.5%;NCGC00091573-01;NCGC00091573-02;NCGC00258605-01;CAS-123-86-4;Butyl acetate, puriss. p.a., ACS reagent;A0024;A0228;Butyl acetate, SAJ first grade, >=98.0%;FT-0621752;Butyl acetate, JIS special grade, >=99.0%;EN300-21265;n-Butylacetate 100 microg/mL in Acetonitrile;n-Butyl acetate [UN1123] [Flammable liquid];A805161;Q411073;J-004991;J-519958;Q-200771;TRIBUTYL ACETYLCITRATE IMPURITY E [EP IMPURITY];F0001-0371;Butyl acetate, >=99.5%, suitable for atomic absorption spectrometry;Butyl acetate, United States Pharmacopeia (USP) Reference Standard;Butyl acetate, Pharmaceutical Secondary Standard; Certified Reference Material;8JZ;

FlavorDB ID

2803

PUBCHEM ID

Molecular Weight

116.16 Molecular Formula

C6H12O2

Openeye Can Smiles

CCCCOC(=O)C

IUPAC Inchikey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell		1.920e-3 µmol/L	apple	details
smell	fruity, banana-like	2.324e-1 µmol/L	jackfruit pulp	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: n-Butyl acetate is a colorless liquid. It is used in manufacture of lacquer, artificial leather, photographic films, plastics, and safety glass. It is also used as an organic solvent and synthetic flavoring ingredient. HUMAN STUDIES: Male and female volunteers were exposed to different concentrations of n-butyl acetate vapor for 2 to 5 minutes. With exposure at 200 ppm for 3 to 5 minutes, the majority of the subjects complained of throat irritation; at 300 ppm for 3 to 5 minutes, the majority reported eye and nose irritation and severe throat irritation. In cases of severe overexposure, weakness, drowsiness, and unconsciousness have been seen. Chronic exposure to n-butyl acetate in humans has been associated with mild skin irritation. Repeated contact of the skin with the liquid may lead to defatting and cracking. Workers exposed chronically to n-butyl acetate have reported conjunctival irritation, feeling of chest constriction, and coughing. However, permanent lesions of the eyes and respiratory tract and other systemic effects have been reported in an occupational setting only when n-butyl acetate is present in a mixture with other solvents, and these effects appear to be due to the other solvents. ANIMAL STUDIES: n-Butyl acetate showed no sensitization potential when tested in a maximization test using guinea-pigs. Following 24 hr application of 0.01 mL of the neat material to the clipped skin of five albino rabbits, n-butyl acetate was slightly irritating. Guinea pigs exposed for 1 to 810 minutes at vapor concentration of 0.33, 0.7, or 1.4% by volume of n-butyl acetate were examined. At 0.33%, only eye irritation occurred. Irritation of the nose and eyes, lacrimation, incoordination, CNS depression, and respiratory disturbances were noted at the two higher concentration. Deaths were recorded only at the 1.4% concentration after 4 hours and occurred during exposure; slight to moderate congestion of the brain, lungs, and kidneys were noted. In mice, minimally effective concentrations for activity-decreasing effects were 2000 ppm for ethyl acetate and 8000 ppm for n-butyl acetate. The mutagenicity of n-butyl acetate in Salmonella typhimurium (TA98, TA100, TA1535, TA1537, and TA1538) and Escherichia coli (WP2uvrA) was examined. The mutation test was performed in the absence and presence of rat microsomal activation. No mutagenic activity was observed with n-butyl acetate.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)

Food Additive Safety (OFAS)
BUTYL ACETATE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Butyl acetate

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2163	ADI (provisional)	<=	6	mg/kg bw	Consumers
2163	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CONTAM	2012	2163	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2163	Scientific Opinion on the evaluation of the substances currently on the list in the annex to Commission Directive 96/3/EC as acceptable previous cargoes for edible fats and oils - Part III of III.	doi:10.2903/j.efsa.2012.2984	18Dec2012

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

butyl acetate

Description

Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It derives from a butan-1-ol.

Synonyms

Butyl acetate; N-BUTYL ACETATE; 123-86-4; Acetic acid, butyl ester; Butyl ethanoate;

FlavorDB ID

2803

PUBCHEM ID

31272

Molecular Weight

116.16

Molecular Formula

C6H12O2

Openeye Can Smiles

CCCCOC(=O)C

IUPAC Inchikey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

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Shown in network

Similarity

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Content

Compound Summary

butyl acetate

Description

Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It derives from a butan-1-ol.

Synonyms

Butyl acetate; N-BUTYL ACETATE; 123-86-4; Acetic acid, butyl ester; Butyl ethanoate;

FlavorDB ID

2803

PUBCHEM ID

31272

Molecular Weight

116.16

Molecular Formula

C6H12O2

Openeye Can Smiles

CCCCOC(=O)C

IUPAC Inchikey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

OpenFoodTox: component Butyl acetate

GC-MS Spectrum