ChemicalBook--->CAS DataBase List--->95-41-0

95-41-0

95-41-0 Structure

95-41-0 Structure
IdentificationBack Directory
[Name]

ISOJASMONE
[CAS]

95-41-0
[Synonyms]

FEMA 3552
ISOJASMOL
ISOJASMON
ISOJASMONE
ISO JASMONE T
ISOJASMONE B-11
ISOJASMONE T(TM)
DIHYDROISOJASMONE
ISOJASMONE USP/EP/BP
2-Hexylcyclopent-2-enon
2-HEXYL-2-CYCLOPENTENONE
2-HEXYL-CYCLOPENT-2-ENONE
2-n-Hexyl-2-cyclopentenone
2-hexyl-2-cyclopenten-1-on
2-HEXYLCYCLOPENT-2-EN-1-ONE
2-HEXYL-2-CYCLOPENTEN-1-ONE
2-Hexyl-1-cyclopenten-3-one
2-Hexyl-3-oxo-1-cyclopentene
2-Cyclopenten-1-one, 2-hexyl-
2-n-hexyl-2-cyclopenten-1-one
dihydro iso jasmone(mixture of isomers)
[EINECS(EC#)]

202-417-5
[Molecular Formula]

C11H18O
[MDL Number]

MFCD00036481
[MOL File]

95-41-0.mol
[Molecular Weight]

166.26
Chemical PropertiesBack Directory
[Boiling point ]

254.5°C (rough estimate)
[density ]

0.8997 (rough estimate)
[vapor pressure ]

0.006Pa@20°C
[refractive index ]

1.4677 (estimate)
[Odor]

at 10.00 % in dipropylene glycol. sweet floral herbal woody jasmin celery fresh dry waxy
[Odor Type]

floral
[Water Solubility ]

252.21mg/L@20°C
[JECFA Number]

1115
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3
[InChIKey]

VGECIEOJXLMWGO-UHFFFAOYSA-N
[SMILES]

O=C1CCC=C1CCCCCC
[LogP]

2.3 at 23.2℃
[EPA Substance Registry System]

2-Cyclopenten-1-one, 2-hexyl- (95-41-0)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

2-Hexyl-2-cyclopenten-1-one is a pale straw-colored liquid. Boiling range 219 to 238℃. Sp.Gr. 0.91. The odor is mere fruity, less floral than that of Dihydro jasmone.
[Uses]

2-Hexyl-2-cyclopenten-1-one is used in perfume compositions for its floral effect mainly in such florals where a distinctly fruity note is acceptable or even desirable ( "White Shoulders" - type of fragrance). It blends well with the heavy fruity notes from Undecanolide and the musky notes from Ethylene brassylate or newer synthetic musks. Ionones and particularly Methylionones supply very good background for this Jasmone-derivative. The use in flavors is very small, since the I taste of this mixture is inferior to that of Dihydro jasmone and other single chemicals.
[Flammability and Explosibility]

Notclassified(100%)
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