U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow 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

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

Approval Year

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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