| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 28060-90-4 |
| ECHA EC Number: | 248-807-9 |
| FDA UNII: | L70361UW5X |
| Category: | solvents/deluents for cosmetic, flavor and/or fragrance agents |
| IUPAC Name: | acetolein |
| InChI : | InChI=1/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3 |
| Std.InChI: | InChI=1S/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3 |
| InChIKey : | KXLSJQTXSAYFDL-UHFFFAOYAB |
| Std.InChIKey: | KXLSJQTXSAYFDL-UHFFFAOYSA-N |
| SMILES : | O=C(C)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(C)=O |
| Molar Refractivity : | 123.21 ± 0.3 cm3 (est) |
| Parachor : | 1085.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.465 ± 0.02 (est) |
| Surface Tension : | 35.2 ± 3.0 dyne/cm (est) |
| Density : | 0.988 ± 0.06 g/cm3 (est) |
| Polarizability : | 48.84 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (SATF): | 28060-90-4 ; ACETOLEIN |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 487.00 to 490.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 399.00 °F. TCC ( 203.90 °C. ) (est) |
| logP (o/w): | 7.959 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.0002486 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| glyceryl diacetate | |
| 1-glyceryl monooleate | |
| None found |
| None found |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |||
| solvents/deluents for cosmetic, flavor and/or fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):28060-90-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5363239 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2,3-diacetoxypropyl octadec-9-enoate |
| Chemidplus:0028060904 |
| 2,3-diacetoxypropyl octadec-9-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5363239 |
| Pubchem (sid): | 135306074 |
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008886 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| not found in nature |
| 2,3- | diacetoxypropyl octadec-9-enoate |
| glycerol diacetate oleate | |
| glyceryl diacetate monooleate | |
| glyceryl monooleate diacetylated | |
| oleic acid, ester with hydroxypropanediyl diacetate | |
| oleodiacetin |
