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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
102
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
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 Sat Dec 16 05:13:24 UTC 2023
Edited
by admin
on Sat Dec 16 05:13:24 UTC 2023
Record UNII
76845O8NMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
NSC-70930
Code English
ACETIC ACID, ETHYL ESTER
Common Name English
ETHYL ACETATE [EP MONOGRAPH]
Common Name English
ETHYL ACETATE [INCI]
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 Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
EPA PESTICIDE CODE 44003
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
CFR 21 CFR 173.228
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
JECFA EVALUATION ETHYL ACETATE
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
Code System Code Type Description
NSC
70930
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
HSDB
83
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
NCI_THESAURUS
C76707
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
DAILYMED
76845O8NMZ
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID1022001
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
MESH
C007650
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
CHEBI
27750
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-500-4
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
EVMPD
SUB11950MIG
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
RXCUI
1314355
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
ETHYL ACETATE
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
SMS_ID
100000076355
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
RS_ITEM_NUM
1265402
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL14152
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
CAS
141-78-6
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
PUBCHEM
8857
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
CONCEPT Industrial Aid
MERCK INDEX
m5081
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY Merck Index
JECFA MONOGRAPH
312
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
PRIMARY
FDA UNII
76845O8NMZ
Created by admin on Sat Dec 16 05:13:24 UTC 2023 , Edited by admin on Sat Dec 16 05:13:24 UTC 2023
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
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