2,4-Dimethoxycinnamic acid
Basic information
- CAS
16909-09-4- Standard SMILES
COc1ccc(/C=C/C(=O)O)c(OC)c1- InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)- is a member of cinnamic acids.
Names & identifiers
- Preferred name
- 2,4-Dimethoxycinnamic acid
- IUPAC
- (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
- English name
- 2,4-Dimethoxycinnamic acid
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
2,4-Dimethoxycinnamic acid6972-61-82',4'-Dimethoxycinnamic acidDTXSID501311291RefChem:443701DTXCID901741109230-208-916909-09-43-(2,4-Dimethoxyphenyl)acrylic acid(E)-3-(2,4-dimethoxyphenyl)acrylic Acid(E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acidtrans-2,4-Dimethoxycinnamic acid
Show more names
CID 85636AURORA 11294AKOS BBS-00006454RARECHEM BK HW 0035OTAVA-BB BB7015052308LABOTEST-BB LT002331662,4-DIMETHOXYCINNAMIC ACID, TRANStrans2,4-dimethoxycinnamic acid-98%
MFCD00016837(2E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid(2e)-3-(2,4-dimethoxyphenyl)acrylic acid2-propenoic acid, 3-(2,4-dimethoxyphenyl)-, (2E)-(E)-2',4'-Dimethoxycinnamic acidSTL3719842-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-trans-2,4-Dimethoxycinnamic acid, 98%
Database identifiers
- CAS
16909-09-4、6972-61-8- PubChem CID
- 734009
- DTXSID
DTXSID901251243- ChEMBL
CHEMBL4455514- ChEBI
CHEBI:231292- EC Number
- 230-208-9、240-955-2
- Nikkaji
- J266.023G、J318.297E
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
- 192 · 192-194 °C(lit.)
- Boiling point
- 384 ℃ · 384℃
- Density
- 1.203 · 1.203
- Flash point
- 152 ℃ · 152℃
- pka
- 4.6 · 4.60±0.13(Predicted)
- InChI
- 1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
- InChIKey
- YIKHDPHTFYWYJV-GQCTYLIASA-N
- SMILES
- [H]\C(=C(\[H])c1ccc(OC)cc1OC)C(O)=O
- CAS DataBase Reference
- 16909 · 16909-09-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- PPE
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…