Basic information
- CAS
769-78-8- Standard SMILES
C=COC(=O)c1ccccc1- InChIKey
KOZCZZVUFDCZGG-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- Vinyl benzoate
- IUPAC
- ethenyl benzoate
- English name
- Vinyl benzoate
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
Vinyl benzoate769-78-8ethenyl benzoateBenzoic acid, ethenyl esterBENZOIC ACID, VINYL ESTERVinylester kyseliny benzooveF1E7C1GGKUNSC 2296EINECS 212-214-3Vinylester kyseliny benzoove [Czech]BRN 2041125AI3-24554
Show more names
BENZOIC ACID VINYL ESTERBenzoic acid vinylVinyl Benzoate VINYL BENZOATE, 99+%VINYL BENZOATE, STAB.Benzoic Acid Ethenyl esterVinylBenzoate(stabilizedwithMEHQ)>
NSC-2296CHEBI:84279DTXSID502277004-09-00-00295 (Beilstein Handbook Reference)Benzoic acid, ethenyl ester (9CI)RefChem:901907DTXCID60150191212-214-3
Database identifiers
- CAS
769-78-8- PubChem CID
- 13037
- DTXSID
DTXSID50227700- ChEMBL
CHEMBL2260720- ChEBI
CHEBI:84279- UNII
- F1E7C1GGKU
- EC Number
- 212-214-3
- Nikkaji
- J36.031G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- -32 °C · -32 °C
- Boiling point
- 95 · 95-96 °C/20 mmHg (lit.)
- Density
- 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
- vapor pressure
- 0.4 mm · 0.4 mm Hg ( 25 °C)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 180 °F · 180 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in methanol
- form
- Liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.07 · 1.07
- Sensitive
- Moisture sensitive
- BRN
- 2041125 · 2041125
- InChI
- 1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- KOZCZZVUFDCZGG-UHFFFAOYSA-N
- SMILES
- C=COC(=O)c1ccccc1
- LogP
- 2.8 at · 2.8 at 25℃
- CAS DataBase Reference
- 769 · 769-78-8(CAS DataBase Reference)
- FDA UNII
- 1 E7C1GGKU · F1E7C1GGKU
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 2 · 2
- RTECS
- 1050000 · DI1050000
- HS Code
- 2916.31 · 2916.31.1190
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- DI1050000
- ridadr
- NA 1993 / PGIII
- hs_code
- 2916.31.1190
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt is used as chemical reagent and pharmaceutical intermediates.
UsesVINYL BENZOATE is a polymer monomer raw material that can be used in studies of polymerisation or copolymerisation reactions. At 79.6°C, block polymerisation and solution polymerisation of vinyl benzoate were carried out using benzoyl peroxide and azobisisobutyronitrile as initiators. The polymerisation rate is directly proportional to the monomer concentration and to the square root of the initiator concentration. The polymerisation reaction proceeds within the normal range; however, as the conversion increases, the reaction rate also increases, which may be due to polymer-mediated transfer[1]. The resulting poly(vinyl benzoate) is widely used in adhesives and coatings, and serves as a film-forming agent in the production of films and packaging materials.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [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]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
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广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
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上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
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湖北成海化工有限公司027-59220433 18327245847 · [email protected]
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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武汉弘德悦欣医药科技有限公司027-83855396 15271852016
中山市迪欣化工有限公司0760-1893339-0325 18933390325
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
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广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
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上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
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山东崇成能源科技有限公司18253333366 · [email protected]
Additional notes
DefinitionChEBI: Vinyl benzoate is an enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
Related reactions
22 records
Compound notes
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