2-HEPTYL 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 2-HEPTYL ACETATE

Structure Search

SMILES

CCCCCC(C)OC(C)=O

InChI

InChIKey=VJYWBLDDQZIGJI-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,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 21:45:18 GMT 2025` Edited by `admin` on `Mon Mar 31 21:45:18 GMT 2025`
Record UNII	2XQ2C7T25A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-2-Heptanol acetate

Preferred Name

English

2-HEPTYL ACETATE

Systematic Name

English

Hept-2-yl ethanoate

Systematic Name

English

Code System Code Type Description

CAS

5921-82-4

Created by admin on Mon Mar 31 21:45:18 GMT 2025 , Edited by admin on Mon Mar 31 21:45:18 GMT 2025

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FDA UNII

2XQ2C7T25A

Created by admin on Mon Mar 31 21:45:18 GMT 2025 , Edited by admin on Mon Mar 31 21:45:18 GMT 2025

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PUBCHEM

80018

Created by admin on Mon Mar 31 21:45:18 GMT 2025 , Edited by admin on Mon Mar 31 21:45:18 GMT 2025

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ECHA (EC/EINECS)

227-647-3

Created by admin on Mon Mar 31 21:45:18 GMT 2025 , Edited by admin on Mon Mar 31 21:45:18 GMT 2025

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EPA CompTox

DTXSID60863653

Created by admin on Mon Mar 31 21:45:18 GMT 2025 , Edited by admin on Mon Mar 31 21:45:18 GMT 2025

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