Basic information
- CAS
22329-76-6- Standard SMILES
COC(=O)/C=C/c1ccc(O)c(OC)c1- InChIKey
AUJXJFHANFIVKH-GQCTYLIASA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
Trans-methylferulate is a cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a member of guaiacols, a methyl ester and a cinnamate ester. It is functionally related to a trans-ferulic acid.
Names & identifiers
- Preferred name
- Methyl Ferulate
- IUPAC
- methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- English name
- (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid methyl este
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
Methyl ferulateFerulic acid methyl ester2309-07-12-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl estertrans-Ferulic acid methyl estermethyl trans-ferulateMethyl ferulate, (E)-Y98BUA66RXmethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoatemethyl (E)-4-hydroxy-3-methoxycinnamateNSC-74548Methyl 4'-hydroxy-3'-methoxycinnamate
Show more names
FERULIC ACID ETHYL ESTER2-Propenoic aBUTTPARK 121\04-55Methyl(E)-ferulateRARECHEM AL BI 0735Acrylic acid methyl este(E)-Ferulic acid methyl esterETHYL 4-HYDROXY-3-METHOXYCINMATE
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylatemethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoateDTXSID801347441RefChem:42725DTXCID301776166methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate22329-76-6methyl 4-hydroxy-3-methoxycinnamate
Database identifiers
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
Experimental & physicochemical properties
LogP1.2
Physicochemical properties
- Melting point
- 63 · 63-65 °C(lit.)
- Boiling point
- 164 · 164-166 °C0.5 mm Hg(lit.)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.88 · 8.88±0.18(Predicted)
- FDA UNII
- 98 BUA66RX · Y98BUA66RX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl (2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylate used in method for preparation of Photoaligning polymer materials and compounds.
Suppliers86 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖南瑞威尔生物科技有限公司15608648206 13297919155 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
Related reactions
23 records
Compound notes
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