Home Other Building Blocks 19398-78-8
19398-78-8,MFCD00021832
Catalog No.:AA003IDV
19398-78-8 | 3,4-DIETHYL-3-HEXANOL
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$312.00   $219.00
- +
500mg
95.0%
3 weeks  
$539.00   $378.00
- +
1g
95.0%
3 weeks  
$697.00   $488.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IDV
Chemical Name:
3,4-DIETHYL-3-HEXANOL
CAS Number:
19398-78-8
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
MDL Number:
MFCD00021832
IUPAC Name:
3,4-diethylhexan-3-ol
InChI:
InChI=1S/C10H22O/c1-5-9(6-2)10(11,7-3)8-4/h9,11H,5-8H2,1-4H3
InChI Key:
WKHFIEUDEJOTPQ-UHFFFAOYSA-N
SMILES:
CCC(C(CC)(CC)O)CC
Properties
Computed Properties
 
Complexity:
91  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3,4-Diethyl-3-hexanol 
19398-78-8 
DTXSID10173012 
WKHFIEUDEJOTPQ-UHFFFAOYSA-N 
ZINC2571343 
MFCD00021832 
MCULE-1063712022 
3,4-Diethyl-3-hexanol, erythro + threo 
TC-170028 
I14-55289 
CID140528 
ZINC02571343 
3-Hexanol, 3,4-diethyl-, 
3,4-diethylhexan-3-ol 
3-Hexanol, 3,4-diethyl- 
ACMC-20anf9 
AC1L3H5I 
3,4-Diethyl-3-hexanol # 
SCHEMBL3373372 
CTK0I1437 
Literature
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