ChemicalBook--->CAS DataBase List--->227456-27-1

227456-27-1

227456-27-1 Structure

227456-27-1 Structure
IdentificationBack Directory
[Name]

3-Mercapto-2-methylpenta-1-ol
[CAS]

227456-27-1
[Synonyms]

3-MERCAPTO-2-METHYLPENTANOL
3-Mercapto-2-methylpenta-1-ol
2-Methyl-3-sulfanylpentan-1-ol
3-Mercapto-2-methyl-1-pentanol
2-Methyl-3-sulfanyl-1-pentanol
1-Pentanol,3-mercapto-2-methyl-
3-Mercapto-2-methylpenta-1-ol USP/EP/BP
3-MERCAPTO-2-METHYLPENTAN-1-OL (RACEMIC)
3 - mercaptoacetic - 2 - methyl alcohol e
3-Mercapto-2-methyl-1-pentanol (mixture of diastereoisomers)
[EINECS(EC#)]

927-385-6
[Molecular Formula]

C6H14OS
[MDL Number]

MFCD08741458
[MOL File]

227456-27-1.mol
[Molecular Weight]

134.24
Chemical PropertiesBack Directory
[Boiling point ]

205.0±23.0 °C(Predicted)
[density ]

0.959±0.06 g/cm3(Predicted)
[FEMA ]

3996 | 3-MERCAPTO-2-METHYLPENTAN-1-OL (RACEMIC)
[form ]

clear liquid
[pka]

10.50±0.10(Predicted)
[color ]

Colorless to Light yellow
[Odor]

at 0.10 % in propylene glycol. sulfurous onion
[Odor Type]

sulfurous
[JECFA Number]

1291
[InChI]

InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
[InChIKey]

HABNNYNSJFKZFE-UHFFFAOYSA-N
[SMILES]

C(O)C(C)C(S)CC
[LogP]

1.46
Safety DataBack Directory
[HS Code ]

2930.90.9250
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

3-Mercapto-2-methylpentan-1-ol (racemic) is a highly odorous mercaptan with an onion or leek-like aroma. Flavor quality was reported to strongly depend on concentration.
[Occurrence]

Reportedly present in onion.
[Definition]

ChEBI: 3-Mercapto-2-methylpentanol is an alkanethiol.
[Preparation]

Prepared by a highly diastereoselective aldol reaction using a chiral auxiliary process with further derivatization yielding the enantiopure compound.
[Aroma threshold values]

At low concentrations (0.5 ppb), a pleasant, meat-broth, sweaty, onion and leek-like odor can be perceived.
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