| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 69038-78-4 |
| ECHA EC Number: | 273-842-1 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | octyl cinnamate |
| InChI : | InChI=1/C17H24O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3/b14-13+ |
| Std.InChI: | InChI=1S/C17H24O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3/b14-13+ |
| InChIKey : | VIKVSUVYUVJHOA-BUHFOSPRBR |
| Std.InChIKey: | VIKVSUVYUVJHOA-BUHFOSPRSA-N |
| SMILES : | CCCCCCCCOC(=O)/C=C/C1=CC=CC=C1 |
| Molar Refractivity : | 80.98 ± 0.3 cm3 (est) |
| Parachor : | 653.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.520 ± 0.02 (est) |
| Surface Tension : | 36.4 ± 3.0 dyne/cm (est) |
| Density : | 0.979 ± 0.06 g/cm3 (est) |
| Polarizability : | 32.10 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 @ 25.00 °C. |
| Boiling Point: | 336.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000015 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 6.024 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.233 mg/L @ 25 °C (est) | |
| Similar Items:note | |
| allyl cinnamate | |
| amyl cinnamate | |
| isoamyl cinnamate | |
| benzyl cinnamate | |
| butyl cinnamate | |
| isobutyl cinnamate | |
| cinnamyl cinnamate | |
| citronellyl cinnamate | |
| cyclohexyl cinnamate | |
| ethyl alpha-acetyl cinnamate | |
| ethyl cinnamate | |
| heptyl cinnamate | |
| (Z)-3-hexen-1-yl cinnamate | |
| hexyl cinnamate | |
| linalyl cinnamate | |
| methyl cinnamate | |
| phenethyl cinnamate | |
| 3-phenyl propyl cinnamate | |
| propyl cinnamate | |
| isopropyl cinnamate | |
| terpinyl cinnamate | |
| tetrahydrofurfuryl cinnamate | |
| None found |
| 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: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for octyl cinnamate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Recommendation for octyl cinnamate 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 :5273468 |
| National Institute of Allergy and Infectious Diseases:Data |
| octyl (E)-3-phenylprop-2-enoate |
| Chemidplus:0069038784 |
| octyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5273468 |
| Pubchem (sid): | 135249229 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| not found in nature |
| octyl (2E)-3-phenylacrylate | |
| octyl (E)-3-phenylprop-2-enoate | |
| 3- | phenyl acrylic acid octyl ester |
| 3- | phenylacrylic acid, octyl ester |
| 2- | propenoic acid, 3-phenyl-, octyl ester, (2E)- |
| None found yet. Try the PubMed Search. |
