Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(OC)c(O)c1- InChIKey
JTLOUXXZZFFBBW-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
Names & identifiers
- Preferred name
- Methyl isoferulate
- IUPAC
- methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
- English name
- Methyl 3-(3-Hydroxy-4-Methoxyphenyl)acrylate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
Methyl isoferulate16980-82-897966-29-5METHYL 3-(3-HYDROXY-4-METHOXYPHENYL)ACRYLATE3-hydroxy-4-methoxycinnamic acid methyl esterMethyl (E)-3'-hydroxy-4'-methoxycinnamatemethyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoatemethyl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoatemethyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate(2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic Acid Methyl Ester(E)-Methyl 3-(3-hydroxy-4-methoxyphenyl)acrylateCinnamic acid, 3-hydroxy-4-methoxy-, methyl ester
Show more names
Methyl Isoferulate, 10 mM in DMSOMethyl 3-Hydroxy-4-MethoxycinnaMate3-Methoxy-4-hydroxycinnamic acid methyl ester3-(3-Hydroxy-4-Methoxyphenyl)acrylic Acid Methyl Ester(E)-3-(3-Methoxy-4-hydroxyphenyl)acrylic acid methyl ester(E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid methyl ester
3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid methyl esterCHEMBL16923orb1992712SCHEMBL8320184JTLOUXXZZFFBBW-GQCTYLIASA-NMFCD073695232-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, methyl ester, (E)-AKOS017417078
Database identifiers
- CAS
16980-82-8- PubChem CID
- 6439893
- ChEMBL
CHEMBL16923- EC Number
- 197-232-9
- Nikkaji
- J1.536.602H、J1.677.512F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 70 · 70-72°C
- Boiling point
- 369.791 · 369.791±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- pka
- 9.47 · 9.470±0.10(predicted)
- color
- White
- LogP
- 2.034 · 2.034 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 3-(3-Hydroxy-4-Methoxyphenyl)acrylate is a useful synthetic intermediate in the preparation of pharmaceuticals.
Suppliers17 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
宁波智锐新材料有限公司0574-87487840-805 15888368997
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
1 records
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