3-HEPTANYL ACETATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HEPTANYL ACETATE

Structure Search

SMILES

CCCCC(CC)OC(C)=O

InChI

InChIKey=QICIMADZMWGDTQ-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:09:34 GMT 2025` Edited by `admin` on `Mon Mar 31 20:09:34 GMT 2025`
Record UNII	79AS95G5J0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 3980

Preferred Name

English

3-HEPTANYL ACETATE

Systematic Name

English

HEPT-3-YL ETHANOATE

Systematic Name

English

3-HEPTANOL, 3-ACETATE

Common Name

English

1-ETHYLPENTYL ACETATE

Systematic Name

English

3-HEPTYL ACETATE

Systematic Name

English

HEPTAN-3-YL ACETATE, (±)-

Systematic Name

English

(±)-HEPTAN-3-YL ACETATE

Systematic Name

English

3-HEPTANOL, ACETATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

(+/-)HEPTAN-3-YL ACETATE

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID60904737

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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CAS

5921-83-5

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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JECFA MONOGRAPH

1075

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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FDA UNII

79AS95G5J0

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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PUBCHEM

537615

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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