Introduction：Basic information about 2-Pentyl-3-methyl-2-cyclopenten-1-one CAS 1128-08-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Pentyl-3-methyl-2-cyclopenten-1-one Basic informationAroma Uses in Perfume
| Product Name: | 2-Pentyl-3-methyl-2-cyclopenten-1-one |
| Synonyms: | 3-METHYL-2-PENTYL-2-CYCLOPENTEN-1-ONE;3-METHYL-2-PENTYL-2-CYCLOPENTENONE;DihydrojasMone (mixture of isomers);3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one;3-methyl-2-pentyl-2-cyclopenten-1-on;3-methyl-2-pentylcyclopent;Jasmone, dihydro-;Tetrahy-dropyrethrone |
| CAS: | 1128-08-1 |
| MF: | C11H18O |
| MW: | 166.26 |
| EINECS: | 214-434-5 |
| Product Categories: | |
| Mol File: | 1128-08-1.mol |
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2-Pentyl-3-methyl-2-cyclopenten-1-one Chemical Properties
| Boiling point | 120-121 °C12 mm Hg(lit.) |
| density | 0.916 g/mL at 25 °C(lit.) |
| FEMA | 3763 | 3-METHYL-2-(N-PENTANYL)-2-CYCLOPENTEN-1-ONE |
| refractive index | n20/D 1.479(lit.) |
| Fp | 230 °F |
| storage temp. | Store at -20°C |
| solubility | DMSO:100.0(Max Conc. mg/mL);601.45(Max Conc. mM) |
| form | clear liquid |
| color | A colourless, slightly oily liquid with a floral-like odour |
| Specific Gravity | 0.914～0.916 (20/4℃) |
| Odor | at 100.00 %. fresh outdoor jasmin myrrh woody spice herbal |
| Odor Type | floral |
| biological source | synthetic |
| JECFA Number | 1406 |
| BRN | 1906471 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3 |
| InChIKey | YCIXWYOBMVNGTB-UHFFFAOYSA-N |
| SMILES | CCCCCC1=C(C)CCC1=O |
| LogP | 3.25 |
| CAS DataBase Reference | 1128-08-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Dihydrojasmone(1128-08-1) |
| EPA Substance Registry System | 2-Cyclopenten-1-one, 3-methyl-2-pentyl- (1128-08-1) |
Safety Information
| WGK Germany | 2 |
| RTECS | GY7302000 |
| TSCA | TSCA listed |
| HS Code | 29142990 |
| Storage Class | 10 - Combustible liquids |
| toxicity | The acute oral LD50 in rats was reported as 2.5 g/kg (1.79-3.50 g/kg) (Keating, 1972). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Keating, 1972). |
2-Pentyl-3-methyl-2-cyclopenten-1-one Usage And Synthesis
| Aroma | Intensely floral and fresh odor with fruityand somewhat Myrrh-like undertone. 2-Pentyl-3-methyl-2-cyclopenten-1-one isoften described as the "closest to ci&Jasmonein odor". In proper dilution it has a pleasant,sweet, herbaceous-floral taste which is easily twisted towards a fruity note in presence oftraces of fruity chemicals. It has an excellentsoftening effect upon the overly "chemical"fruit materials. |
| Uses in Perfume | 2-Pentyl-3-methyl-2-cyclopenten-1-one is widely used in perfume compositions, notonly for artificial Jasmin and Bergamot, butin general as a floralizer in the more fruityfloral fragrance types: Ylang, Lily, Tuberose,Magnolia, etc. and it introduces a pleasantundertone in Citrus type fragrances. |
| Chemical Properties | 2-Pentyl-3-methyl-2-cyclopenten-1-one is a colorless,slightly viscous liquid with a typical jasmine odor, resembling that of the naturallyoccurring (Z)-jasmone. Dihydrojasmone is produced by an acid-catalyzedrearrangement of 4-methyl-??-decalactone, which is readily obtained byradical addition of 2-octanol to acrylic acid.
Dihydrojasmone is used in perfumery in jasmine bases and, more generally, infloral and fruity fragrances. |
| Chemical Properties | 3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one has a fresh, fruity, jasmine odor with woody and herbal nuances. |
| Occurrence | Has apparently not been reported to occur in nature. |
| Uses | flavors and fragrances |
| Preparation | Hexyl bromide plus levulinic ester yields a lactone, which is reacted with polyphosphoric acid or phosphorus pentoxideto produce hydrojasmone. |
| Definition | ChEBI: 3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone. |
| Taste threshold values | Taste characteristics at 10 ppm: sweet, floral, green, herbal with a citrus nuance. |
| Synthesis Reference(s) | Canadian Journal of Chemistry, 56, p. 2301, 1978 DOI: 10.1139/v78-379
Journal of the American Chemical Society, 92, p. 7428, 1970 DOI: 10.1021/ja00728a029 |
2-Pentyl-3-methyl-2-cyclopenten-1-one Preparation Products And Raw materials
| Raw materials | 6-Benzylaminopurine-->Jasmone-->n-Hendecane |
