| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 107697-91-6 |
| FDA UNII: | Search |
| Category: | flavoring agents |
| IUPAC Name: | 1-octen-3-yl propionate |
| InChI : | InChI=1/C11H20O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5,10H,2,4,6-9H2,1,3H3 |
| Std.InChI: | InChI=1S/C11H20O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5,10H,2,4,6-9H2,1,3H3 |
| InChIKey : | JXIWFCAUMLSOOO-UHFFFAOYAX |
| Std.InChIKey: | JXIWFCAUMLSOOO-UHFFFAOYSA-N |
| SMILES : | O=C(OC(\C=C)CCCCC)CC |
| MDL: | MFCD00129709 |
| Molar Refractivity : | 54.46 ± 0.3 cm3 (est) |
| Parachor : | 480.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.434 ± 0.02 (est) |
| Surface Tension : | 27.9 ± 3.0 dyne/cm (est) |
| Density : | 0.881 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.59 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 228.00 to 229.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.072000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 193.00 °F. TCC ( 89.40 °C. ) (est) |
| logP (o/w): | 3.998 (est) |
| Soluble in: | |
| alcohol | |
| water, 16.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| 1-Octen-3-yl Propionate |
| Tengzhou Jitian Aroma Chemiclal |
| 1-Octen-3-yl Propionate |
| 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: | |||
| flavoring agents | |||
| Recommendation for 1-octen-3-yl propionate usage levels up to: | |||
| not for fragrance 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 :545739 |
| National Institute of Allergy and Infectious Diseases:Data |
| oct-1-en-3-yl propanoate |
| oct-1-en-3-yl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 545739 |
| Pubchem (cas): | 107697-91-6 |
| Pherobase: | View |
| (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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.50.3000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| amyl vinyl carbinyl propionate | |
| oct-1-en-3-yl propanoate | |
| oct-1-en-3-yl propionate | |
| 1- | octen-3-ol, propanoate |
| 1- | pentyl-2-propenyl propionate |
| 1- | vinyl hexyl propionate |
| 1- | vinylhexyl propionate |
| None found yet. Try the PubMed Search. |
