Home Other Building Blocks 1-Hexanol, 3-mercapto-3-methyl-

1-Hexanol, 3-mercapto-3-methyl-

CAS No.:
307964-23-4
Catalog Number:
AG0031B7
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
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Product Description
Catalog Number:
AG0031B7
Chemical Name:
1-Hexanol, 3-mercapto-3-methyl-
CAS Number:
307964-23-4
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
MDL Number:
MFCD08741457
IUPAC Name:
3-methyl-3-sulfanylhexan-1-ol
InChI:
InChI=1S/C7H16OS/c1-3-4-7(2,9)5-6-8/h8-9H,3-6H2,1-2H3
InChI Key:
PSALIMFZUGITJC-UHFFFAOYSA-N
SMILES:
CCCC(CCO)(S)C
Properties
Complexity:
75.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Glutathione-conjugated sulfanylalkanols are substrates for ABCC11 and γ-glutamyl transferase 1: a potential new pathway for the formation of odorant precursors in the apocrine sweat gland. Experimental dermatology 20140401
The N-terminal amino acid of apolipoprotein D is putatively covalently bound to 3-hydroxy-3-methyl hexanoic acid, a key odour compound in axillary sweat. International journal of cosmetic science 20110601
Gender-specific differences between the concentrations of nonvolatile (R)/(S)-3-methyl-3-sulfanylhexan-1-Ol and (R)/(S)-3-hydroxy-3-methyl-hexanoic acid odor precursors in axillary secretions. Chemical senses 20090301
A strong association of axillary osmidrosis with the wet earwax type determined by genotyping of the ABCC11 gene. BMC genetics 20090101
The sequential action of a dipeptidase and a beta-lyase is required for the release of the human body odorant 3-methyl-3-sulfanylhexan-1-ol from a secreted Cys-Gly-(S) conjugate by Corynebacteria. The Journal of biological chemistry 20080725
Chiral multidimensional gas chromatography (MDGC) and chiral GC-olfactometry with a double-cool-strand interface: application to malodors. Chemistry & biodiversity 20060201
Identification of the precursor of (S)-3-methyl-3-sulfanylhexan-1-ol, the sulfury malodour of human axilla sweat. Chemistry & biodiversity 20050601
Identification of new odoriferous compounds in human axillary sweat. Chemistry & biodiversity 20041201
3-Methyl-3-sulfanylhexan-1-ol as a major descriptor for the human axilla-sweat odour profile. Chemistry & biodiversity 20040701
Identification of odoriferous sulfanylalkanols in human axilla secretions and their formation through cleavage of cysteine precursors by a C-S lyase isolated from axilla bacteria. Chemistry & biodiversity 20040701
Properties