3-Ethyl-3-hexanol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H18O
Molecular Weight	130.2279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Ethyl-3-hexanol

Structure Search

SMILES

CCCC(O)(CC)CC

InChI

InChIKey=WNDLTOTUHMHNOC-UHFFFAOYSA-N

InChI=1S/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H18O
Molecular Weight	130.2279
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 `Tue Apr 01 19:36:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:02 GMT 2025`
Record UNII	TP5DX5CP9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Ethylhexan-3-ol

Preferred Name

English

3-Ethyl-3-hexanol

Systematic Name

English

1,1-Diethylbutanol

Systematic Name

English

3-Hexanol, 3-ethyl-

Systematic Name

English

NSC-28044

Code

English

1,1-Diethyl-1-butanol

Systematic Name

English

Code System Code Type Description

NSC

28044

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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PUBCHEM

69008

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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FDA UNII

TP5DX5CP9C

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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CAS

597-76-2

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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EPA CompTox

DTXSID60208409

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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ECHA (EC/EINECS)

209-908-3

Created by admin on Tue Apr 01 19:36:02 GMT 2025 , Edited by admin on Tue Apr 01 19:36:02 GMT 2025

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