P-MENTHA-8-THIOL-3-ONE

Base Information

• Chemical Name: P-MENTHA-8-THIOL-3-ONE
• CAS No.: 38462-22-5
• Molecular Formula: C10H18OS
• Molecular Weight: 186.318
• Hs Code.: 29309090
• European Community (EC) Number: 253-953-1,251-440-7
• DSSTox Substance ID: DTXSID2047195
• Nikkaji Number: J294.669F
• Wikidata: Q27272321
• Metabolomics Workbench ID: 47760
• ChEMBL ID: CHEMBL3183829
• Mol file: 38462-22-5.mol

Synonyms:Mangone;p-Mentha-8-thiol-3-one;

Chemical Property of P-MENTHA-8-THIOL-3-ONE

Chemical Property:

• Appearance/Colour: clear yellow to dark yellow liquid
• Vapor Pressure: 0.00585mmHg at 25°C
• Refractive Index: n20/D 1.495(lit.)
• Boiling Point: 273.1 °C at 760 mmHg
• PKA: 10.56±0.10(Predicted)
• Flash Point: 108.3 °C
• PSA: 55.87000
• Density: 0.997 g/cm³
• LogP: 2.70010
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.10783637
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

8-Mercaptomenthone >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(=O)C1)C(C)(C)S
• Description: P-Menthα-8-thiol-3-one has a black-currant flavor. May be prepared by reaction of pulegone or isopulegone with hydrogen sulfide excess and ethanolic potassium hydroxide.

Technology Process of P-MENTHA-8-THIOL-3-ONE

There total 2 articles about P-MENTHA-8-THIOL-3-ONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

8-acetylthio-para-menthan-3-one (94293-57-9) → 2-(1-mercapto-1-methylethyl)-5-methylcyclohexanone (38462-22-5,33284-96-7,33281-91-3)

Guidance literature:

With Passiflora edulis wall-bound hydrolase; at 30 ℃; pH=7.2; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/jf800793q

Reference yield:

→ 2-(1-mercapto-1-methylethyl)-5-methylcyclohexanone (38462-22-5,33284-96-7,33281-91-3)

Guidance literature:

Pulegon, H2S;

Reference yield: 97.0%

2-(1-mercapto-1-methylethyl)-5-methylcyclohexanone (38462-22-5,33284-96-7,33281-91-3) → 5-methyl-2-(propan-2-yl-2-d)cyclohexan-1-one (7230-16-2)

Guidance literature:

With di-tert-butyl peroxide; water-d2; ethydiphenylphosphine oxide; at 20 ℃; for 6h; Sealed tube; Irradiation;

upstream raw materials:

8-acetylthio-para-menthan-3-one

Downstream raw materials:

Menthone

2,3-bis((2-(4-methyl-2-oxocyclohexyl)propan-2-yl)thio)naphthalene-1,4-dione

5-methyl-2-(propan-2-yl-2-d)cyclohexan-1-one

Refernces

• 1、 -. "Fragrance precursors". . . Retrieved 2008/06/13.