ChemicalBook--->CAS DataBase List--->597-76-2

597-76-2

597-76-2 Structure

597-76-2 Structure
IdentificationMore
[Name]

3-ETHYL-3-HEXANOL
[CAS]

597-76-2
[Synonyms]

3-ETHYL-3-HEXANOL
1,1-Diethyl-1-butanol
3-ethyl-hexan-3-ol
Diethyl n-propyl carbinol
[EINECS(EC#)]

209-908-3
[Molecular Formula]

C8H18O
[MDL Number]

MFCD00039616
[Molecular Weight]

130.23
[MOL File]

597-76-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-61.15°C (estimate)
[Boiling point ]

160.1°C
[density ]

0.83
[refractive index ]

1.4250
[pka]

15.38±0.29(Predicted)
[InChI]

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

WNDLTOTUHMHNOC-UHFFFAOYSA-N
[SMILES]

CCC(CC)(O)CCC
[LogP]

2.622 (est)
[CAS DataBase Reference]

597-76-2(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
Hazard InformationBack Directory
[Uses]

3-Ethyl-3-hexanol is a flavor component of muscadine grape and wines.
Spectrum DetailBack Directory
[Spectrum Detail]

3-ETHYL-3-HEXANOL(597-76-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Ethyl-3-hexanol, 98%(597-76-2)
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