mercaptomethyl pentanone

2-pentanone, 3-mercapto-4-methyl-

CAS: 75832-79-0 C6 H12 O S MW: 132.22584000 berry

Identification

Namemercaptomethyl pentanone
IUPAC4-methyl-3-sulfanylpentan-2-one
CAS Number75832-79-0
FDA UNIISearch
Molecular FormulaC6 H12 O S
Molecular Weight132.22584000

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 168.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure 1.700000 mmHg @ 25.00 °C. (est)
Flash Point 132.00 °F. TCC ( 55.40 °C. ) (est)
logP (o/w) 1.740 (est)
Soluble in water, 1.177e+004 mg/L @ 25 °C (est)

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryinformation only not used for fragrances or flavors
Recommendation for mercaptomethyl pentanone usage levels up tonot for fragrance use.
Recommendation for mercaptomethyl pentanone flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

3- mercapto-4-methyl-2-pentanone 4- methyl-3-sulfanylpentan-2-one 2- pentanone, 3-mercapto-4-methyl- PubMed: Direct accurate analysis of cysteinylated and glutathionylated precursors of 4-mercapto-4-methyl-2-pentanone and 3-mercaptohexan-1-ol in must by ultrahigh performance liquid chromatography coupled to mass spectrometry. PubMed: Influence of volatile thiols in the development of blackcurrant aroma in red wine. PubMed: New factor characterizing the in-mouth release of odorants (volatile thiols): compositional changes in odorants exhaled from the human nose during drinking. PubMed: Selective preconcentration of volatile mercaptans in small SPE cartridges: quantitative determination of trace odor-active polyfunctional mercaptans in wine. PubMed: Improved solid-phase extraction procedure for the isolation and in-sorbent pentafluorobenzyl alkylation of polyfunctional mercaptans. Optimized procedure and analytical applications. PubMed: Quantitative determination of wine polyfunctional mercaptans at nanogram per liter level by gas chromatography-negative ion mass spectrometric analysis of their pentafluorobenzyl derivatives. PubMed: Occurrence of polyfunctional thiols in fresh lager beers. PubMed: Automated analysis of 2-methyl-3-furanthiol and 3-mercaptohexyl acetate at ng L(-1) level by headspace solid-phase microextracion with on-fibre derivatisation and gas chromatography-negative chemical ionization mass spectrometric determination. PubMed: Synthesis and biological evaluation of 2-thiopyrimidine derivatives. PubMed: Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues. PubMed: Identification of potent odorants in different green tea varieties using flavor dilution technique. PubMed: Identification of potent odorants in Japanese green tea (Sen-cha). PubMed: Odor similarity between stress-inducing odorants in wistar rats.