Basic information
- CAS
1504-72-9- Standard SMILES
CCOC(=O)/C=C(\C)c1ccccc1- InChIKey
BSXHSWOMMFBMLL-MDZDMXLPSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Ethyl (2E)-3-phenyl-2-butenoate
- IUPAC
- ethyl (E)-3-phenylbut-2-enoate
- English name
- Ethyl trans-beta-methylcinnamate 97
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
1504-72-9Ethyl (2E)-3-phenyl-2-butenoateDTXSID101304961RefChem:1084664DTXCID801734961ethyl 3-phenylbut-2-enoate(E)-ethyl 3-phenylbut-2-enoate945-93-7ethyl (E)-3-phenylbut-2-enoateEthyl trans-beta-methylcinnamateethyl (2E)-3-phenylbut-2-enoate2-Butenoic acid, 3-phenyl-, ethyl ester
Show more names
Ethyl trans-3-Phenylcrotonateethyl trans-β-methylcinnamateEthyl (E)-3-Phenyl-2-butenoateEthyl trans-beta-methylcinnamate 97Ethyl trans-beta-methylcinnamate 97%Ethyl trans-β-methylcinnamate(2E)-3-Phenyl-2-butenoic Acid Ethyl Ester2-Butenoic acid, 3-phenyl-, ethyl ester, (2E)-
MFCD00053762Ethyl 3-phenyl-2- butenoateethyl 3-phenyl-2-butenoateEthyl trans-b-MethylcinnamateCinnamic acid, .beta.-methyl-, ethyl esterEthyl beta-methylcinnamateEthyl trans-?-MethylcinnamateSCHEMBL5078615
Database identifiers
- CAS
1504-72-9、945-93-7- PubChem CID
- 5354836
- DTXSID
DTXSID101304961- EC Number
- 886-898-2
- Nikkaji
- J501.942G、J565.197B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 142 · 142-144 °C15 mm Hg(lit.)
- Density
- 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.546(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- Dichloromethane
- form
- Oil
- color
- Yellow
- InChI
- 1S/C12H14O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+
- InChIKey
- BSXHSWOMMFBMLL-MDZDMXLPSA-N
- SMILES
- [H]\C(C(=O)OCC)=C(\C)c1ccccc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- HS Code
- 29163900 · 29163900
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163900
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesEthyl trans-β-methylcinnamate was used in diastereoselective synthesis of ethyl (E)-3-methyl-3-phenylglycidate (strawberry flavoring agent).
Suppliers31 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
凯试（上海）科技有限公司021-50135380 · [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]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
海蔚化学86-21-51086038 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
2 records
Compound notes
Loading…