Basic information
- CAS
20329-96-8- Standard SMILES
COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1- InChIKey
KLXHCGFNNUQTEY-AATRIKPKSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Overview
Methyl-3,4,5-trimethoxy cinnamate is an alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol. It is an alkyl cinnamate and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Methyl 3,4,5-trimethoxycinnamate
- IUPAC
- methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
- English name
- METHYL 3,4,5-TRIMETHOXYCINNAMATE
- Molecular formula
- C13H16O5
- Molecular weight
- 252.26
Names & synonyms
Methyl 3,4,5-trimethoxycinnamateDTXSID001289631Methyl (E)-3,4,5-trimethoxycinnamateRefChem:814643DTXCID501720252672-252-520329-96-87560-49-8methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoatemethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-(E)-Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
Show more names
5-TRIMETHOXYCINNAMATEMETHYL TRIMETHOXYCINNAMATE3,4,5-Trimethyl-methylcinnamateMethyl 3,4,5-TriMethyl cinnaMateMethyl 3,4,5-Trimethoxycinnamate,>98%Methyl trans-3,4,5-trimethoxycinnamateMethyl 3,4,5-trimethoxy-trans-cinnamate
3,4,5-Trimethoxybenzeneacrylic acid methyl esterMethyl trans-3-(3,4,5-trimethoxyphenyl)acrylateMFCD03614740(E)-Methyl 3,4,5-trimethoxycinnamateCinnamic acid, 3,4,5-trimethoxy-, methyl estermethyl-3,4,5-trimethoxy cinnamateNSC648088Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Melting Point99 - 100 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 91 · 91-92℃
- Boiling point
- 371 ℃ · 371℃
- Density
- 1.134 · 1.134
- Flash point
- 164 ℃ · 164℃
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2916399090 · 2916399090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses(E)-Methyl 3,4,5-trimethoxycinnamate is a bioactive natural phenylpropanoid. (E)-Methyl 3,4,5-trimethoxycinnamate suppresses inflammation in RAW264.7 macrophages and blocks macrophage-adipocyte interaction. (E)-Methyl 3,4,5-trimethoxycinnamate also has antiarrhythmic effect, leads to suppression of triggered activities in rabbit myocytes[1][2].
Upstream & downstream products
Downstream products
Suppliers41 total
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
2 records
Compound notes
Loading…