Styrene oxide

Base Information

• Chemical Name: Styrene oxide
• CAS No.: 96-09-3
• Deprecated CAS: 62497-63-6,67253-49-0
• Molecular Formula: C8H8O
• Molecular Weight: 120.151
• Hs Code.: 29109000
• European Community (EC) Number: 202-476-7
• ICSC Number: 1201
• NSC Number: 7582,637
• UN Number: 2810,3082
• UNII: 9QH06NGT6O
• DSSTox Substance ID: DTXSID2021286
• Nikkaji Number: J5.159D
• Wikipedia: Styrene_oxide
• Wikidata: Q413262
• NCI Thesaurus Code: C44447
• ChEMBL ID: CHEMBL1605493
• Mol file: 96-09-3.mol

Synonyms:phenyloxirane;styrene 7,8-oxide;styrene oxide;styrene oxide, (+-)-isomer;styrene oxide, (R)-isomer;styrene oxide, (S)-isomer

Chemical Property of Styrene oxide

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: -37 °C
• Refractive Index: n20/D 1.535(lit.)
• Boiling Point: 193.9 °C at 760 mmHg
• Flash Point: 79.4 °C
• PSA: 12.53000
• Density: 1.107 g/cm³
• LogP: 1.75790
• Storage Temp.: 0-6°C
• Solubility.: 3g/l
• Water Solubility.: 3 g/L (20 ºC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.057514874
• Heavy Atom Count: 9
• Complexity: 94.7
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

rac Styrene Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-21-36-43-36/38-20/21-46
• Safety Statements: 53-45-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Epoxides
• Canonical SMILES: C1C(O1)C2=CC=CC=C2
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin. The substance may cause effects on the central nervous system. Exposure could cause lowering of consciousness.
• Effects of Long Term Exposure: This substance is probably carcinogenic to humans.
• Uses: A major (toxic) metabolite of Styrene (S687790), catalyzed by epoxide hydrolase. Styrene oxide is is an important intermediate for organic synthesis and is widely used in organic synthesis, pharmaceutical preparation, and perfume production. For example, styrene oxide is added to hydrogen to produce monophenylethanol under the action of a catalyst. Styrene oxide has a wide range of uses, and can be used in floral fragrances for daily use, as well as in food. Styrene oxide is also an important intermediate for the synthesis of levamisole hydrochloride. L-imidazole hydrochloride is a broad-spectrum intestinal repellent that can be used by humans and animals. Used as an intermediate in the production of styrene glycol and its derivatives; as a reactive dilutent in the epoxy resin industry; as a chemical intermediate for making bphenethyl alcohol, a fragrance material.

Technology Process of Styrene oxide

There total 253 articles about Styrene oxide 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: 86.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → styrene oxide (96-09-3) + phenylethane 1,2-diol (93-56-1) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With methyl 3-pyridinecarboxylate; dihydrogen peroxide; methyltrioxorhenium(VII); In dichloromethane; at 24 ℃; for 17h; Further Variations:; Reagents; Product distribution;

DOI:10.1021/jo005623+

Reference yield: 82.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → styrene oxide (96-09-3) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With Pd₂(azobenzene)₂Cl₂; oxygen; In ethanol; N,N-dimethyl-formamide; at 60 ℃; under 0 Torr; Reagent/catalyst; Pressure; Temperature;

Reference yield: 82.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → styrene oxide (96-09-3) + phenylethane 1,2-diol (93-56-1) + benzaldehyde (100-52-7)

Guidance literature:

With NH-pyrazole; water; dihydrogen peroxide; methyltrioxorhenium(VII); In various solvent(s); for 2h; Ambient temperature;

DOI:10.1039/a902133g

upstream raw materials:

styrene

peracetic acid

Perbenzoic acid

2-iodo-1-phenylethan-1-ol

Downstream raw materials:

1-(2'-hydroxy-2'-phenylethyl)aziridine

1-phenyl-2-(pyrrolidin-1-yl)ethanol

1-phenyl-2-(piperidin-1-yl)ethan-1-ol

2-morpholino-1-phenylethanol

Refernces

TiCl₄ and Grignard reagent-promoted ring-opening reactions of various epoxides: synthesis of γ-hydroxy-α,α-difluoromethylenephosphonates

10.1016/j.tetlet.2008.07.146

The study investigates the synthesis of diethyl c-hydroxy-a,a-difluoromethylenephosphonates through the ring-opening reactions of epoxides. Key chemicals involved include titanium tetrachloride (TiCl4), which acts as a Lewis acid to promote the ring-opening of epoxides, and lithium diethyl difluoromethylenephosphonate, which serves as a nucleophile. The study explores the reactivity of various epoxides, such as propylene oxide, 1,2-butene oxide, styrene oxide, and cyclohexene oxide, with these reagents. The reactions are regioselective, favoring attack at the less hindered site of the epoxide ring. The study also examines the use of Grignard reagents, which act as both nucleophiles and Lewis acids, leading to the formation of halohydrins. The synthesized compounds have potential applications in the design of non-hydrolyzable analogues of biologically active phosphate esters and as substrates for certain enzymes.

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