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78-66-0,MFCD00004480
Catalog No.:AA003INY
78-66-0 | 3,6-Dimethyloct-4-yne-3,6-diol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$43.00   $30.00
- +
25g
95%
in stock  
$101.00   $71.00
- +
100g
95%
in stock  
$193.00   $135.00
- +
500g
95%
in stock  
$539.00   $378.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003INY
Chemical Name:
3,6-Dimethyloct-4-yne-3,6-diol
CAS Number:
78-66-0
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00004480
IUPAC Name:
3,6-dimethyloct-4-yne-3,6-diol
InChI:
InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3
InChI Key:
NUYADIDKTLPDGG-UHFFFAOYSA-N
SMILES:
CCC(C#CC(CC)(O)C)(O)C
EC Number:
201-131-8
Properties
Computed Properties
 
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
78-66-0 
3,6-Dimethyl-4-octyne-3,6-diol 
3,6-Dimethyl-octin-4-diol-(3,6) 
BRN 1722390 
AI3-07312 
3,6-Dimethyl-octin-4-diol-(3,6) [German] 
NUYADIDKTLPDGG-UHFFFAOYSA-N 
3,6-diol 
W-104272 
4-Octyne-3, 3,6-dimethyl- 
ACMC-209pew 
Surfynol 82, 82S 
3,6-Dimethyloct-4-yne-3,6-diol 
AC1L1MRP 
AC1Q2RZ9 
AC1Q76HP 
4-01-00-02706 (Beilstein Handbook Reference) 
SCHEMBL127300 
DTXSID1041475 
CTK3J6842 
NSC1025 
3,6-Dimethyl-4-octin-3,6-diol 
NSC-1025 
3,6-Dimethyl-4-octyn-3,6-diol 
3,6-dimethyl-oct-4-yne-3,6-diol 
ANW-37206 
MFCD00004480 
NSC406738 
AKOS004905801 
FCH1114936 
MCULE-9937196539 
NSC-406738 
RTR-030707 
KS-000016K5 
Surfynol 82 
AN-23954 
CC-13745 
K389 
LS-98156 
AX8083077 
TR-030707 
D1168 
FT-0614763 
4-OCTYN-3,6-DIOL, 3,6-DIMETHYL- 
C-33855 
4-Octyne-3,6-diol, 3,6-dimethyl- 
I14-50862 
InChI=1/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H 
UNII-GFO2D7A38Q 
DIMETHYL OCTYNEDIOL 
GFO2D7A38Q 
C10H18O2 
CID6546 
3,6-dimethyloct-4-yn-3,6-diol 
AR-1F0032 
C10-H18-O2 
Surfynol 85 
3, 6- dimethyloct- 4- yne- 3, 6- diol 
83104-85-2 
3,6-Dihydroxy-3,6-dimethyl-4-octyne 
NSC 1025 
EINECS 201-131-8 
Literature
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