Basic information
- CAS
101927-24-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1- InChIKey
USNYNNITUQSEEV-UHFFFAOYSA-N- Molecular formula
- C32H54O4
- Average molar mass
- 502.8 g/mol
- Monoisotopic mass
- 502.4022102
Names & identifiers
- Preferred name
- Unii-A2T8gne262
- IUPAC
- docosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- English name
- Docosyl ferulate
- Molecular formula
- C32H54O4
- Molecular weight
- 502.77
Names & synonyms
UNII-A2T8GNE262SCHEMBL10610966BEA92724n-docosanyl-4-hydroxy-3-methoxycinnamateQ27273541Docosyl trans-ferulateDocosyl Ferulate1-Docosyl ferulateDocosyl Ferulate (50 mg)E-Ferulic acid docosyl esterDOCOSYL FERULATE (50 MG)F0E1430.99MG/MG(AI)(E)-Docosyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Show more names
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, docosyl ester, (2E)-
Database identifiers
- CAS
101927-24-6- PubChem CID
- 54370069
Properties
Computed structural properties
- XLogP
- 12.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 25
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Boiling point
- 596.552 · 596.552±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 9.752 · 9.752±0.31(predicted)
- color
- White to Off-White
- Stability
- Light Sensitive
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3
- InChIKey
- USNYNNITUQSEEV-UHFFFAOYSA-N
- SMILES
- O(C)c1c(ccc(c1)C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)O
- FDA UNII
- 2 T8GNE262 · A2T8GNE262
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
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
- wgk
- WGK 3
- hs_code
- 2918992090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesDocosyl Ferulate is a compound derived form Ferulic Acid (F308900), widely distributed in small amounts in plants. Used as an antioxidant and food preservative.
Suppliers20 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
ChemeGen 中国18818260767 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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