2,6-Dimethyl-4-heptanol acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H22O2
Molecular Weight	186.2912
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-Dimethyl-4-heptanol acetate

Structure Search

SMILES

CC(C)CC(CC(C)C)OC(C)=O

InChI

InChIKey=XLJDNKNPKUBQMX-UHFFFAOYSA-N

InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C11H22O2
Molecular Weight	186.2912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:09:10 GMT 2025` Edited by `admin` on `Wed Apr 02 17:09:10 GMT 2025`
Record UNII	88XC8V2DNU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,6-Dimethylheptan-4-yl acetate

Preferred Name

English

2,6-Dimethyl-4-heptanol acetate

Systematic Name

English

4-Heptanol, 2,6-dimethyl-, 4-acetate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID6051516

Created by admin on Wed Apr 02 17:09:10 GMT 2025 , Edited by admin on Wed Apr 02 17:09:10 GMT 2025

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FDA UNII

88XC8V2DNU

Created by admin on Wed Apr 02 17:09:10 GMT 2025 , Edited by admin on Wed Apr 02 17:09:10 GMT 2025

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CAS

10250-45-0

Created by admin on Wed Apr 02 17:09:10 GMT 2025 , Edited by admin on Wed Apr 02 17:09:10 GMT 2025

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PUBCHEM

82493

Created by admin on Wed Apr 02 17:09:10 GMT 2025 , Edited by admin on Wed Apr 02 17:09:10 GMT 2025

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ECHA (EC/EINECS)

233-588-4

Created by admin on Wed Apr 02 17:09:10 GMT 2025 , Edited by admin on Wed Apr 02 17:09:10 GMT 2025

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