| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 63644-62-2 |
| FDA UNII: | 3SK9G87Y9Q |
| Category: | natural substances and extractives |
| IUPAC Name: | coniferyl ferulate |
| InChI : | InChI=1/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+ |
| Std.InChI: | InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+ |
| InChIKey : | PGLIMMMHQDNVRS-YZQQHVNFBE |
| Std.InChIKey: | PGLIMMMHQDNVRS-YZQQHVNFSA-N |
| SMILES : | COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
| MDL: | MFCD13195559 |
| Molar Refractivity : | 101.13 ± 0.3 cm3 (est) |
| Parachor : | 756.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.640 ± 0.02 (est) |
| Surface Tension : | 52.7 ± 3.0 dyne/cm (est) |
| Density : | 1.269 ± 0.06 g/cm3 (est) |
| Polarizability : | 40.09 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 570.50 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 397.00 °F. TCC ( 202.80 °C. ) (est) |
| logP (o/w): | 2.780 (est) |
| Soluble in: | |
| water, 5.574 mg/L @ 25 °C (est) | |
| None found |
| Alfa Biotechnology |
| For experimental / research use only. |
| coniferyl ferulate 95% |
| BOC Sciences |
| For experimental / research use only. |
| Coniferyl ferulate >98% Odor: characteristic Use: Source from Ligusticum chuanxiong. |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for coniferyl ferulate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for coniferyl ferulate flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6441913 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Chemidplus:0063644622 |
| [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6441913 |
| Pubchem (sid): | 135191791 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| KEGG (GenomeNet): | C17855 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| found in nature |
| 3-(4- | hydroxy-3-methoxyphenyl)-2-propenoic acid 3-(4-hydroxy-3-methoxyphenyl)-2-propenyl ester |
| [(E)-3-(4- | hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
