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1128-08-1

1128-08-1 Structure

1128-08-1 Structure
IdentificationMore
[Name]

2-Pentyl-3-methyl-2-cyclopenten-1-one
[CAS]

1128-08-1
[Synonyms]

2-N-AMYL-3-METHYL-2-CYCLOPENTEN-1-ONE
2-PENTYL-3-METHYL-2-CYCLOPENTEN-1-ONE
3-METHYL-2-PENTYL-2-CYCLOPENTEN-1-ONE
3-METHYL-2-PENTYL-2-CYCLOPENTENONE
DIHYDROJASMONE
DI JASMONE
FEMA 3763
JASMONE
METHYL PENTYL CYCLOPENTEN-2-ONE
2-Cyclopenten-1-one, 3-methyl-2-pentyl-
2-Cyclopenten-1-one,3-methyl-2-pentyl-
2-n-Pentyl-3-methyl-2-cyclopenten-1-one
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
3-methyl-2-pentylcyclopent-2-enone
3-Methyl-2-(2-penten-1-yl)-2-cyclopentene
DIHYDROJASMONE 98+%
[EINECS(EC#)]

214-434-5
[Molecular Formula]

C11H18O
[MDL Number]

MFCD00036480
[Molecular Weight]

166.26
[MOL File]

1128-08-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

120-121 °C12 mm Hg(lit.)
[density ]

0.916 g/mL at 25 °C(lit.)
[FEMA ]

3763
[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
[biological source]

synthetic
[Odor Type]

floral
[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]

1128-08-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H303
[Precautionary statements ]

P270-P301+P312-P403-P501c
[WGK Germany ]

2
[RTECS ]

GY7302000
[TSCA ]

Yes
[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).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

6-Benzylaminopurine-->Jasmone-->Undecane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1).msds
Hazard InformationBack Directory
[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.
[Uses]

flavors and fragrances
[Definition]

ChEBI: 3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone.
[Preparation]

Hexyl bromide plus levulinic ester yields a lactone, which is reacted with polyphosphoric acid or phosphorus pentoxide to produce hydrojasmone.
[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
Questions And AnswerBack Directory
[Aroma]

Intensely floral and fresh odor with fruity and somewhat Myrrh-like undertone. 2-Pentyl-3-methyl-2-cyclopenten-1-one is often described as the "closest to ci&Jasmone in odor". In proper dilution it has a pleasant, sweet, herbaceous-floral taste which is easily twisted towards a fruity note in presence of traces of fruity chemicals. It has an excellent softening effect upon the overly "chemical" fruit materials.
[Uses in Perfume]

2-Pentyl-3-methyl-2-cyclopenten-1-one is widely used in perfume compositions, not only for artificial Jasmin and Bergamot, but in general as a floralizer in the more fruityfloral fragrance types: Ylang, Lily, Tuberose, Magnolia, etc. and it introduces a pleasant undertone in Citrus type fragrances.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1)MS
2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1)1HNMR
2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1)13CNMR
2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Dihydrojasmone, 97%(1128-08-1)
[Sigma Aldrich]

1128-08-1(sigmaaldrich)
[TCI AMERICA]

Dihydrojasmone,>98.0%(GC)(1128-08-1)
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