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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O2
Molecular Weight 88.1051
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl acetate

SMILES

CCOC(C)=O

InChI

InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C4H8O2
Molecular Weight 88.1051
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Ethyl acetate is a widely used synthetic solvent. It is used in cosmetics and considered to be safe. Ethyl acetate is cited as a direct and indirect food additive as detailed in the Code of Federal Regulations. Ethyl acetate is generally recognized as safe (GRAS) for use as a synthetic flavor and/or adjuvant; limitations on concentrations of use were not specified. Ethyl acetate was tested for in vitro in human breast cancer cell line and demonstrated considerable cytotoxicity.

Approval Year

1964
103
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Test for carcinogenicity of food additives and chemotherapeutic agents by the pulmonary tumor response in strain A mice.
1973 Dec
Physiologically based pharmacokinetic modeling of ethyl acetate and ethanol in rodents and humans.
2015 Oct
Antimicrobial activity of Butyl acetate, Ethyl acetate and Isopropyl alcohol on undesirable microorganisms in cosmetic products.
2016 Oct
Effect of ethyl acetate aroma on viability of human breast cancer and normal kidney epithelial cells in vitro.
2017 Mar
Patents

Patents

US5241106 A
1
US5770761 A
1
US8080684 B2
1
US8394984 B2
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
MDA-MB-231 human breast cancer cells (10(5) cells/ml) were exposed to varying concentrations of ethyl acetate vapor (containing 0.02 M, 0.026 M, 0.03 M, 0.034 M, 0.04 M, 0.05 M, 0.1 M, 0.2 M, and 0.5 M of the compound) for 48 hours. It was found that ethyl acetate at a concentration of 0.026 M was effective in causing considerable cytotoxicity in breast cancer cells
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:27:40 GMT 2025
Edited
by admin
on Mon Mar 31 21:27:40 GMT 2025
Record UNII
76845O8NMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-70930
Preferred Name English
Ethyl acetate
EP   FCC   FHFI   HSDB   II   INCI   MART.   MI   USP-RS   WHO-DD  
INCI  
Official Name English
Ethyl acetate [WHO-DD]
Common Name English
VINEGAR NAPHTHA
Common Name English
ACETIC ACID, ETHYL ESTER
Common Name English
ETHYL ACETATE [EP MONOGRAPH]
Common Name English
ETHYL ACETATE [FHFI]
Common Name English
ETHYL ACETATE [HSDB]
Common Name English
FEMA NO. 2414
Code English
ACETOXYETHANE
Systematic Name English
ETHYL ETHANOATE
Systematic Name English
ETHYL ACETATE [MI]
Common Name English
ETHYL ACETATE [MART.]
Common Name English
ETHYL ACETATE [II]
Common Name English
ETHYL ACETATE [FCC]
Common Name English
ETHYL ACETATE [USP-RS]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 175.320
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
EPA PESTICIDE CODE 44003
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
CFR 21 CFR 173.228
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JECFA EVALUATION ETHYL ACETATE
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
Code System Code Type Description
NSC
70930
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
HSDB
83
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
NCI_THESAURUS
C76707
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
DAILYMED
76845O8NMZ
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID1022001
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PRIMARY
MESH
C007650
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PRIMARY
CHEBI
27750
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PRIMARY
ECHA (EC/EINECS)
205-500-4
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PRIMARY
EVMPD
SUB11950MIG
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PRIMARY
RXCUI
1314355
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY RxNorm
WIKIPEDIA
ETHYL ACETATE
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
SMS_ID
100000076355
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
RS_ITEM_NUM
1265402
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PRIMARY
ChEMBL
CHEMBL14152
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
CAS
141-78-6
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
PUBCHEM
8857
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
CONCEPT Industrial Aid
MERCK INDEX
m5081
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY Merck Index
JECFA MONOGRAPH
312
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
FDA UNII
76845O8NMZ
Created by admin on Mon Mar 31 21:27:40 GMT 2025 , Edited by admin on Mon Mar 31 21:27:40 GMT 2025
PRIMARY
Related Record Type Details
Structure of MK-825 HYDROCHLORIDE HEMI-ETHYLACETATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of DUTASTERIDE
PARENT -> IMPURITY
Limit of Residual Solvents
CHROMATOGRAPHIC PURITY (GC)
USP
Related Record Type Details
Structure of Ethyl acetate
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
SOLUBILITY PHYSICAL
Structure of WATER
Solvent
PHYSICAL
MELTING POINT PHYSICAL
BOILING POINT PHYSICAL Pressure
PHYSICAL
NIH
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