trans-2,4,5-Trimethoxycinnamic acid
Basic information
- CAS
24160-53-0- Standard SMILES
COc1cc(OC)c(OC)cc1C=CC(=O)O- InChIKey
XCEGAEUDHJEYRY-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Overview
3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid has been reported in Alpinia flabellata and Piper eucalyptifolium with data available.
Names & identifiers
- Preferred name
- trans-2,4,5-Trimethoxycinnamic acid
- IUPAC
- 3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
- English name
- trans-2,4,5-Trimethoxycinnamic acid
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
trans-2,4,5-Trimethoxycinnamic acid3-(2,4,5-trimethoxyphenyl)prop-2-enoic acidNSC 89300SCHEMBL715805SCHEMBL30871940DTXSID7012602902',4',5'-Trimethoxycinnamic acidEINECS 246-047-22,4,5-TRIMETHOXY CINNAMIC ACIDDB-005845NS00051349RARECHEM BK HW 0204
Show more names
2,4,5-Trimethoxyciamic acid2,4,5-TRIMETHOXYCINNAMIC ACIDrans-2,4,5-Trimethoxycinnamicaci(E)-2,4,5-Trimethoxycinnamic Acid2,4,5-TRIMETHOXYCINNAMIC ACID 98+%2,4,5-Trimethoxy-trans-cinnamic acid3-(2,4,5-TRIMETHOXYPHENYL)ACRYLIC ACID3-(2,4,5-Trimethoxyphenyl)propenoic acid
Database identifiers
- CAS
24160-53-0
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 164 · 164-166 °C(lit.)
- 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
- form
- powder to crystal
- pka
- 4.54 · 4.54±0.15(Predicted)
- color
- Light yellow to Amber to Dark green
- CAS DataBase Reference
- 24160 · 24160-53-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
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
- wgk
- 3
- hs_code
- 29189900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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