Basic information
- Name:
Jasmone
- CAS No.:
488-10-8
- Molecular Structure:
- Formula:
- C11H16O
- Molecular Weight:
- 164.27
- Deleted CAS:
- 4907-07-7
- 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;
- EINECS:
- 207-668-4
- Density:
- 0.937 g/cm3
- Boiling Point:
- 264.2 °C at 760 mmHg
- Flash Point:
- 107.2 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Chemistry
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: C11H16O
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
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.
Production
Jasmone is manufactured within plants by the metabolism of jasmonate, from linolenic acid by the octadecanoid pathway.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
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
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.