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107-54-0,MFCD00008941
Catalog No.:AA003ILM
107-54-0 | 3,5-Dimethylhex-1-yn-3-ol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
1 week  
$161.00   $113.00
- +
5g
98%
1 week  
$165.00   $115.00
- +
25g
98%
1 week  
$175.00   $123.00
- +
100g
98%
1 week  
$206.00   $144.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003ILM
Chemical Name:
3,5-Dimethylhex-1-yn-3-ol
CAS Number:
107-54-0
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00008941
IUPAC Name:
3,5-dimethylhex-1-yn-3-ol
InChI:
InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChI Key:
NECRQCBKTGZNMH-UHFFFAOYSA-N
SMILES:
CC(CC(C#C)(O)C)C
EC Number:
203-500-9
NSC Number:
978
Properties
Computed Properties
 
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
glutathionyl-3-hydroxykynurenine glucoside 
GSH-3-OHKG 
NSC 978 
EINECS 203-500-9 
Sialyl-3-paragloboside 
AI3-23126 
ACMC-2098wy 
EC 203-500-9 
AC1L1UD6 
AC1Q1P3T 
DSSTox_CID_21472 
DSSTox_RID_79746 
3,5-Dimethyl-1-hexyn-3-ol 
DSSTox_GSID_41472 
SCHEMBL81639 
1-Hexyn-3-ol,5-dimethyl- 
KSC496G3D 
3,5-dimethyl-l-hexyn-3-ol 
NSC978 
3,5-Dimethyl-1-hexyne-3-ol 
Jsp000677 
CHEMBL3184632 
DTXSID6041472 
3,5-Dimethylhex-1-yn-3-ol 
3, 5-Dimethyl-1-hexyn-3-ol 
CTK3J6331 
NSC-978 
DL-3,5-Dimethyl-1-hexyn-3-ol 
ZERO/001856 
Tox21_301138 
ANW-15824 
BBL027736 
MFCD00008941 
SBB002131 
107-54-0 
STK772141 
AKOS005617657 
3,5-Dimethyl-1-hexyn-3-ol, 98% 
MCULE-1026323537 
RTR-001833 
TRA0028557 
NCGC00248305-01 
NCGC00255036-01 
AN-22482 
CAS-107-54-0 
Surfynol 
glutathionyl-3-hydroxykynurenine glucoside 
DB-040766 
ST4083865 
TR-001833 
D0737 
FT-0614654 
ST24041255 
trans-3-cis-8,11,14-eicosatetraenoyl-CoA 
Z2668 
J-660008 
Surfynol 61 
J-660053 
I14-47328 
UNII-Q988C9BDWK 
C8H14O 
Q988C9BDWK 
C8-H14-O 
CID61018 
2-(4-Hexylbenzoyl)-5-methylpyridine 
3,5-Dimethyl-1-hexyn-3-ol, 97% - 25ML 25ml 
3,5-Dimethyl-1-hexyn-3-ol, 99%, </=25 APHA - 100ML 100ml 
1-HEXYN-3-OL, 3,5-DIMETHYL- 
NECRQCBKTGZNMH-UHFFFAOYSA-N 
Surfynol (VAN) 
Literature

Title: Photochemical properties of UV Filter molecules of the human eye.

Journal: Investigative ophthalmology & visual science 20110929

Title: Major changes in human ocular UV protection with age.

Journal: Investigative ophthalmology & visual science 20010101

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