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Jasmone

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Name

Jasmone

EINECS 207-668-4
CAS No. 488-10-8 Density 0.937 g/cm3
Solubility Melting Point
Formula C11H16O Boiling Point 264.2 °C at 760 mmHg
Molecular Weight 164.27 Flash Point 107.2 °C
Transport Information Appearance COA
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 488-10-8 (Jasmone) Hazard Symbols IrritantXi
Synonyms

2-Cyclopenten-1-one,3-methyl-2-(2-pentenyl)-, (Z)- (8CI);2-Cyclopenten-1-one,3-methyl-2-(2Z)-2-pentenyl- (9CI);Jasmone (6CI);(Z)-Jasmone;3-Methyl-2-(2-cis-pentenyl)-2-cyclopenten-1-one;3-Methyl-2-(cis-2-pentenyl)-2-cyclopenten-1-one;cis-Jasmone;

 

Jasmone Chemical Properties

Molecule structure of Jasmone (CAS NO.488-10-8):

IUPAC Name: 3-Methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one 
Molecular Weight: 164.24414 g/mol
Molecular Formula: C11H16
Density: 0.937 g/cm3 
Boiling Point: 264.2 °C at 760 mmHg 
Flash Point: 107.2 °C
Index of Refraction: 1.491
Molar Refractivity: 50.77 cm3
Molar Volume: 175.1 cm3
Polarizability: 20.12×10-24 cm3
Surface Tension: 31.1 dyne/cm 
Enthalpy of Vaporization: 50.21 kJ/mol
Vapour Pressure: 0.00982 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Tautomer Count: 10
Exact Mass: 164.120115
MonoIsotopic Mass: 164.120115
Topological Polar Surface Area: 17.1
Heavy Atom Count: 12
Complexity: 233
Canonical SMILES: CCC=CCC1=C(CCC1=O)C
Isomeric SMILES: CC/C=C\CC1=C(CCC1=O)C
InChI: InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKey: XMLSXPIVAXONDL-PLNGDYQASA-N
EINECS: 207-668-4
Product Categories: ketone Flavor

Jasmone Uses

 Jasmone (CAS NO.488-10-8) can act as an attractant or a repellent for various insects. However it is used primarily in perfumes and cosmetics. It also can be used in jasmine and mint flavor.

Jasmone Production

  Jasmone is manufactured within plants by the metabolism of jasmonate, from linolenic acid by the octadecanoid pathway.

Jasmone Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),845.
2.    

orl-rat LD50:5000 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),845.

Jasmone Consensus Reports

Reported in EPA TSCA Inventory.

Jasmone Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: GY7301000

Jasmone Specification

 Jasmone (CAS NO.488-10-8) is also named as (Z)-Jasmone ; 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- ; 3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one, (Z)- ; 3-Methyl-2-(cis-2-penten-1-yl)-2-cyclopenten-1-one ; 4-07-00-00337 (Beilstein Handbook Reference) ; BRN 1907713 ; FEMA No. 3196 . It is a colorless to pale yellow liquid that has the odor of jasmine. It slightly soluble in water, soluble in ethanol, ether and carbon tetrachloride and oil.

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