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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
MOL RATIO 1 MOL RATIO (average)
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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

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
Record UNII
76845O8NMZ
Record Status Validated (UNII)
Record Version