allyl phenyl sulfide

(allylthio)benzene

CAS: 5296-64-0 C9 H10 S MW: 150.24370000

Identification

Nameallyl phenyl sulfide
CAS Number5296-64-0
EINECS226-142-5
FDA UNIIPZD2SYT8MG
Molecular FormulaC9 H10 S
Molecular Weight150.24370000
MDL NumberMFCD00014957
Nikkaji NumberJ297.984E
Beilstein1856940
XlogP33.50 (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 SDSView
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
IFRA Purity Specification< 0.1% free allyl alcohol
Recommendation for allyl phenyl sulfide usage levels up tonot for fragrance use.
Recommendation for allyl phenyl sulfide flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

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