mercaptomethyl pentanone
2-pentanone, 3-mercapto-4-methyl-
Identification
| Name | mercaptomethyl pentanone |
| IUPAC | 4-methyl-3-sulfanylpentan-2-one |
| CAS Number | 75832-79-0 |
| FDA UNII | Search |
| Molecular Formula | C6 H12 O S |
| Molecular Weight | 132.22584000 |
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 Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for mercaptomethyl pentanone usage levels up to | not for fragrance use. |
| Recommendation for mercaptomethyl pentanone flavor usage levels up to | not for flavor use. |
No supplier data available
Potential Uses
Natural Occurrence
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.