| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 40942-73-2 |
| ECHA EC Number: | 255-149-6 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | amyl cyclopentanone propanone |
| InChI : | InChI=1/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3 |
| Std.InChI: | InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3 |
| InChIKey : | PMVDYAQAPLAXSY-UHFFFAOYAJ |
| Std.InChIKey: | PMVDYAQAPLAXSY-UHFFFAOYSA-N |
| SMILES : | CCCCCC1C(CCC1=O)CC(=O)C |
| Molar Refractivity : | 60.40 ± 0.3 cm3 (est) |
| Parachor : | 527.4 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.452 ± 0.02 (est) |
| Surface Tension : | 31.0 ± 3.0 dyne/cm (est) |
| Density : | 0.940 ± 0.06 g/cm3 (est) |
| Polarizability : | 23.94 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 313.00 to 314.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000490 mmHg @ 25.00 °C. (est) |
| Flash Point: | 243.00 °F. TCC ( 117.22 °C. ) |
| logP (o/w): | 2.407 (est) |
| Soluble in: | |
| alcohol | |
| water, 368.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| amyl cyclopentenone | |
| 2-heptyl-1-cyclopentanone | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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: | |
| oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982. | |
| 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 amyl cyclopentanone propanone usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Recommendation for amyl cyclopentanone propanone flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):40942-73-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :162030 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-(2-oxopropyl)-2-pentylcyclopentan-1-one |
| Chemidplus:0040942732 |
| Leffingwell: | Chirality or Article |
| 3-(2-oxopropyl)-2-pentylcyclopentan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 40942-73-2 |
| Pubchem (cid): | 162030 |
| Pubchem (sid): | 135116640 |
| (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 |
| ChemSpider: | View |
| not found in nature |
| 3- | acetonyl-2-pentylcyclopentanone |
| cyclopentanone, 3-(2-oxopropyl)-2-pentyl- | |
| magnolione | |
| 2- | pentyl-3-(2-propanone)-1-cyclopentanone |
| 3-(2-oxo | propyl)-2-pentyl cyclopentan-1-one |
| 3-(2-oxo | propyl)-2-pentyl cyclopentanone |
| 3-(2-oxo | propyl)-2-pentylcyclopentan-1-one |
| 3-(2-oxo | propyl)-2-pentylcyclopentanone |
| None found yet. Try the PubMed Search. |
