2-Pentyl-3-methyl-2-cyclopenten-1-one
Synonym(s):3-Methyl-2-pentyl-2-cyclopenten-1-one
- CAS NO.：1128-08-1
- Empirical Formula: C11H18O
- Molecular Weight: 166.26
- MDL number: MFCD00036480
- EINECS: 214-434-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is 2-Pentyl-3-methyl-2-cyclopenten-1-one?
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 naturally
occurring (Z)-jasmone. Dihydrojasmone is produced by an acid-catalyzed
rearrangement of 4-methyl-??-decalactone, which is readily obtained by
radical addition of 2-octanol to acrylic acid.
Dihydrojasmone is used in perfumery in jasmine bases and, more generally, in
floral 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.
Preparation
Hexyl bromide plus levulinic ester yields a lactone, which is reacted with polyphosphoric acid or phosphorus pentoxide to 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
Properties of 2-Pentyl-3-methyl-2-cyclopenten-1-one
| Boiling point: | 120-121 °C12 mm Hg(lit.) |
| Density | 0.916 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3763 | 3-METHYL-2-(N-PENTANYL)-2-CYCLOPENTEN-1-ONE |
| Flash point: | 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 |
| JECFA Number | 1406 |
| BRN | 1906471 |
| 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 for 2-Pentyl-3-methyl-2-cyclopenten-1-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303:Acute toxicity,oral |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403:Store in a well-ventilated place. |
Computed Descriptors for 2-Pentyl-3-methyl-2-cyclopenten-1-one
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