S-Propyl thioacetate

Base Information

• Chemical Name: S-Propyl thioacetate
• CAS No.: 2307-10-0
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• Hs Code.: 29309090
• European Community (EC) Number: 218-984-7
• UNII: Y7284NZ6EP
• DSSTox Substance ID: DTXSID30177638
• Nikkaji Number: J125.732C
• Wikidata: Q27294326
• Metabolomics Workbench ID: 46244
• Mol file: 2307-10-0.mol

Synonyms:S-Propyl thioacetate;2307-10-0;S-Propyl ethanethioate;S-N-PROPYL THIOACETATE;Propyl thioacetate;Ethanethioic acid, S-propyl ester;Propyl thiolacetate;S-N-Propylthioacetate;Acetic acid, thio-, S-propyl ester;FEMA No. 3385;UNII-Y7284NZ6EP;1-(propylsulfanyl)ethan-1-one;Y7284NZ6EP;EINECS 218-984-7;N-PROPYL THIO ACETATE;Thioacetic acid S-n-propyl ester;1-Propanethiol acetate;S-Propyl ethanethioate #;SCHEMBL1532586;Thioacetic Acid S-Propyl Ester;thio-acetic acid S-propyl ester;FEMA 3385;DTXSID30177638;PROPYL THIOACETATE [FHFI];CHEBI:173442;S-Propyl ethanethioate, AldrichCPR;MFCD00039937;AKOS006228580;ETHANETHIOIC ACID S-PROPYL ESTER;CS-0197063;FT-0634192;P1716;D92148;A816553;Q-100294;Q27294326

Chemical Property of S-Propyl thioacetate

Chemical Property:

• Vapor Pressure: 5.87mmHg at 25°C
• Refractive Index: 1.4600
• Boiling Point: 141.376 °C at 760 mmHg
• Flash Point: 36.039 °C
• PSA: 42.37000
• Density: 0.968 g/cm³
• LogP: 1.67610
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

99% ^*data from raw suppliers

S-n-Propyl thioacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: Xi
• Statements: 10-36/37/38-41
• Safety Statements: 16-26-36/37/39-39-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC(=O)C
• Sources: Natural product found in Allium cepa (onion).
• Uses: S-Propyl thioacetate is primarily used in the food industry as a flavoring agent, especially in products like beverages, baked goods, meat, gravy, soups, condiments, pickles, and cereals.
• References: [1] Impact of processing on odour-active compounds of a mixed tomato-onion puree; DOI 10.1016/j.foodchem.2017.01.135

Technology Process of S-Propyl thioacetate

There total 18 articles about S-Propyl thioacetate 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: 87.0%

1-thiopropane (107-03-9) + ammonium acetate (631-61-8,92206-38-7) → S-propyl thiol-acetate (2307-10-0)

Guidance literature:

With bromine; triphenylphosphine; In acetonitrile; at 20 ℃; for 0.65h;

DOI:10.1016/j.tetlet.2013.01.068

Reference yield: 82.0%

1-thiopropane (107-03-9) + acetyl chloride (75-36-5) → S-propyl thiol-acetate (2307-10-0)

Guidance literature:

at 60 ℃; for 4h;

DOI:10.1134/S096554411901002X

Reference yield: 46.0%

acetyl iodide (507-02-8) + triethylsilylethyl propyl sulfide (1493853-12-5) → S-propyl thiol-acetate (2307-10-0) + hexaethyl disiloxane (994-49-0)

Guidance literature:

With air moisture; at 70 - 75 ℃; for 5h;

DOI:10.1134/S1070363213100290

upstream raw materials:

Acetyl bromide

C₁₁H₁₇PS

dipropylphenylarsine sulfide

O-butyl S,S-dipropyl phosphorodithioite

Downstream raw materials:

1-thiopropane

thioacetic acid

S-propyl 4-methoxybenzothioate

Refernces

• 1、 Anderson, David,Zinke, Paul,Razniak, S.L.. "Mechanism of Thio Imino Ester Formation from the Reaction of Thioamides and Thiochloroformate Esters". . p. 1544 - 1547. Retrieved 1983.
• 2、 Iranpoor, Nasser,Firouzabadi, Habib,Elham, Etemadi Davan. "In situ generated Ph3P(OAc)2as a novel reagent for the efficient acetylation of alcohols and thiols at room temperature". . p. 1813 - 1816. Retrieved 2013/04/24.