allyl phenyl sulfide
(allylthio)benzene
Identification
| Name | allyl phenyl sulfide |
| CAS Number | 5296-64-0 |
| EINECS | 226-142-5 |
| FDA UNII | PZD2SYT8MG |
| Molecular Formula | C9 H10 S |
| Molecular Weight | 150.24370000 |
| MDL Number | MFCD00014957 |
| Nikkaji Number | J297.984E |
| Beilstein | 1856940 |
| XlogP3 | 3.50 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 208.39 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.098000 mmHg (est) |
| Flash Point | 174.00 °F. TCC ( 78.80 °C. ) (est) |
| logP (o/w) | 3.510 |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| 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 |
| IFRA Purity Specification | < 0.1% free allyl alcohol |
| Recommendation for allyl phenyl sulfide usage levels up to | not for fragrance use. |
| Recommendation for allyl phenyl sulfide flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
allyl sulfanyl benzene
allyl thio) benzene
allylsulfanyl)benzene
allylthio)benzene
benzene, (2-propen-1-ylthio)-
prop-2-en-1-ylsulfanyl)benzene
prop-2-enylsulfanylbenzene
prop-2-enylthiobenzene
(2-
propenylthio)benzene
PubMed:
Regio- and enantioselective iridium-catalyzed allylation of thiophenol: synthesis of enantiopure allyl phenyl sulfides.
PubMed:
Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent.
PubMed:
Thiomaleic anhydride: a convenient building block for the synthesis of alpha-substituted gamma- and delta-lactones through free-radical addition, nucleophilic ring opening, and subsequent thiocarboxylate manipulation.
PubMed:
2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.
PubMed:
Screening of organosulfur compounds as inhibitors of human CYP2A6.
PubMed:
The magnesium-ene cyclization stereochemically directed by an allylic oxyanionic group and its application to a highly stereoselective synthesis of (+/-)-matatabiether. Allylmagnesium compounds by reductive magnesiation of allyl phenyl sulfides.
PubMed:
Claisen rearrangement of allyl phenyl ether and its sulfur and selenium analogues on electron impact
PubMed:
Asymmetric copper-catalyzed