Basic information
- CAS
33130-03-9- Standard SMILES
COc1ccc(C=CC(=O)O)c(OC)c1OC- InChIKey
ZYOPDNLIHHFGEC-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412355
Names & identifiers
- Preferred name
- 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid
- IUPAC
- 3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
- English name
- trans-2,3,4-Trimethoxycinnamic acid
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
DTXSID2012630873-(2,3,4-trimethoxyphenyl)-2-Propenoic acidRefChem:489961DTXCID1016937643-(2,3,4-trimethoxyphenyl)prop-2-enoic acid2-Propenoic acid,3-(2,3,4-trimethoxyphenyl)-(2E)-3-(2,3,4-TRIMETHOXYPHENYL)ACRYLIC ACID3-(2,3,4-trimethoxyphenyl)propenoic AcidSCHEMBL285232orb1680093ZYOPDNLIHHFGEC-UHFFFAOYSA-NAKOS030239839
Show more names
RARECHEM BK HC T327TIMTEC-BB SBB005874LABOTEST-BB LT00454929Cinepazide Impurities54-TriMethoxycinnaMic AcidCinepazide Impurities1391Trans-2,3,4-Trimethoxycinnam2,3,4-TRIMETHOXYCINNAMIC ACIDtrans-2,3,4-Trimethoxycinnamicrans-2,3,4-Trimethoxycinnamicaci
DB-048342DB-060877
Database identifiers
- CAS
33130-03-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 172 · 172-174 °C
- Boiling point
- 300.83 °C · 300.83°C (rough estimate)
- Density
- 1.1416 · 1.1416 (rough estimate)
- refractive index
- 1.4571 · 1.4571 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder to crystal
- pka
- 4.54 · 4.54±0.15(Predicted)
- color
- White to Almost white
- BRN
- 2657904 · 2657904
- LogP
- 2.03 · 2.030 (est)
- CAS DataBase Reference
- 33130 · 33130-03-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,3,4-Trimethoxycinnamic acid(33130-03-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usestrans-2,3,4-Trimethoxycinnamic acid is a Phenylpropanoids product that can be isolated from the barks of Chinese cinnamon[1].
Upstream & downstream products
Upstream raw materials
Suppliers98 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]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
19 records
Compound notes
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