Basic information
- CAS
20780-53-4- Standard SMILES
c1ccc([C@@H]2CO2)cc1- InChIKey
AWMVMTVKBNGEAK-QMMMGPOBSA-N- Molecular formula
- C8H8O
- Average molar mass
- 120.15 g/mol
- Monoisotopic mass
- 120.05751487
Names & identifiers
- Preferred name
- (+)-Styrene oxide
- IUPAC
- (2R)-2-phenyloxirane
- English name
- (R)-Styrene oxide
- Molecular formula
- C8H8O
- Molecular weight
- 120.15
Names & synonyms
(R)-Styrene oxide20780-53-4(2R)-2-phenyloxiraneR-Phenyloxirane(R)-(+)-Styrene oxideR-STYRENE OXIDE(R)-(Epoxyethyl)benzeneOxirane, phenyl-, (2R)-Styrene oxide, (R)-0HB27D5MRWCHEBI:45389DTXSID401349483
Show more names
CgHgO(r)-benzen(R)-EPOXYSTYROL2-phenylethen-1-one(R)-2-phenyl-oxirane(r)-(+)-epoxystyrene(R)-STYRENE OXIDE 98%
(+)-styrene oxideRefChem:889336DTXCID701778495606-637-6(R)-2-phenyloxirane(R)-PhenyloxiraneOxirane, 2-phenyl-, (2R)-MFCD00066210
Database identifiers
- CAS
20780-53-4- PubChem CID
- 114705
- DTXSID
DTXSID401349483- ChEMBL
CHEMBL1235743- ChEBI
CHEBI:45389- UNII
- 0HB27D5MRW
- EC Number
- 606-637-6
- Nikkaji
- J471.947F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94
Physicochemical properties
- Melting point
- -37 °C · -37 °C
- alpha
- -21 · -21 º (c=5, chloroform 23 ºC)
- Boiling point
- 89 · 89-90 °C23 mm Hg(lit.)
- Density
- 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.535
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform
- form
- Liquid
- color
- Clear yellow
- explosive limit
- 22 % · ~22%
- optical activity
- 20 · [α]20/D +33°, neat
- Water Solubility
- insoluble
- BRN
- 1984 · 1984
- InChI
- 1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
- InChIKey
- AWMVMTVKBNGEAK-QMMMGPOBSA-N
- SMILES
- C1O[C@@H]1c2ccccc2
- CAS DataBase Reference
- 20780 · 20780-53-4(CAS DataBase Reference)
- FDA UNII
- 0 HB27D5MRW · 0HB27D5MRW
- NIST Chemistry Reference
- Benzene, (epoxyethyl)-, (R)-(20780-53-4)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 312 · H312-H319-H350
- Precautionary statements
- 201 · P201-P280-P302+P352+P312-P305+P351+P338-P308+P313
- Hazard Codes
- T
- Risk Statements
- 45 · 45-21-36
- Safety Statements
- 53 · 53-45
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 9625010 · CZ9625010
- F
- 10 · 10
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29109000 · 29109000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 DermalCarc · Acute Tox. 4 DermalCarc. 1BEye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H312 (98.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H350 (100%): May cause cancer [Danger Carcinogenicity]
P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenyloxirane and its isomers: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (98.2%)；Eye Irrit. 2 (100%)；Carc. 1B (100%)
Acute toxicity - category 4；Eye irritation - category 2A；Skin sensitisation - category 1；Carcinogenicity - category 1B
Regulatory information
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 10
- wgk
- 3
- rtecs
- CZ9625010
- ridadr
- 2810
- hs_code
- 29109000
- risk_code
- 45-21-36
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H312-H319-H350
- Hazard Classifications
- Acute Tox. 4 DermalCarc. 1BEye Irrit. 2
- Precautionary statements
- P201-P280-P302+P352+P312-P305+P351+P338-P308+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Applications
UsesMain metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.
UsesIt is used to produce a homologated epoxide as part of a synthetic approach to (+)-allosedamine. It is the main metabolite of styrene, catalyzed by epoxide hydrolase.
Preparation methods
Preparation(R)-2-hydroxy-2-phenylethylmethanesulfonic acid (1.4 g) and 28% sodium methoxide (1.25 g) were added to methanol (10 ml) and stirred at room temperature for 1 hour. The reaction mixture was neutralized, concentrated, and then ethyl acetate and water were added to the residue. The organic layer was collected by separation, washed with saturated sodium chloride aqueous solution, and then dehydrated and dried with magnesium sulfate. The desiccant was filtered off, and the solvent was distilled off under reduced pressure. The resulting oily substance was then distilled under reduced pressure to give a colorless oily compound (R)-Styrene oxide (0.7 g, 90.0%).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
杭州微远生物科技有限公司15234742824 15234742824 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海福兴医药科技有限公司21-21-64961388 18918697718 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Additional notes
DefinitionChEBI: The (R)-enantiomer of styrene oxide.
Related reactions
29 records
Compound notes
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