Jasmone
- Iupac Name：3-methyl-2-pent-2-enylcyclopent-2-en-1-one
- CAS No.: 488-10-8
- Molecular Weight：164.248
- Modify Date.: 2022-11-05 05:06
- Introduction: Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1].
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1. Names and Identifiers
- 1.1 Name
- Jasmone
- 1.2 Synonyms
(Z)-JASMONE 2-Cyclopenten-1-one, 3-methyl-2-(2-penten-1-yl)- 2-Cyclopenten-1-one, 3-methyl-2-[(2Z)-2-penten-1-yl]- 2-cyclopenten-1-one, 3-methyl-2-[(2Z)-2-pentenyl]- 3-Methyl-(cis-2-penten-1-yl)-2-cyclopenten-1-one 3-Methyl-2-(2-penten-1-yl)-2-cyclopenten-1-one 3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE 3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one, (Z)- 3-METHYL-2-(CIS-2-PENTENYL)-2-CYCLOPENTEN-1-ONE 3-Methyl-2-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-one 3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-one 3-Methyl-2-pent-2-enylcyclopent-2-en-1-one 3-methyl-2-pent-2-enyl-cyclopent-2-enone CIS-3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE cis-Jabarme cis-Jasmon CIS-JASMONE EINECS 207-668-4 FEMA 3196 JASMONE, CIS- JASMONE,CIS MFCD00001402
- 1.3 CAS No.
- 488-10-8
- 1.4 CID
- 1549018
- 1.5 EINECS(EC#)
- 207-668-4; 228-410-7
- 1.6 Molecular Formula
- C11H16O (isomer)
- 1.7 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-
- 1.8 InChkey
- XMLSXPIVAXONDL-PLNGDYQASA-N
- 1.9 Canonical Smiles
- CCC=CCC1=C(CCC1=O)C
- 1.10 Isomers Smiles
- CC/C=C\CC1=C(CCC1=O)C
2. Properties
- 2.1 Density
- 0.94
- 2.1 Melting point
- 203 - 205
- 2.1 Boiling point
- 134-135℃ (12 mmHg)
- 2.1 Refractive index
- 1.498
- 2.1 Flash Point
- 225?
- 2.1 Precise Quality
- 164.12000
- 2.1 PSA
- 17.07000
- 2.1 logP
- 3.02210
- 2.1 Appearance
- Pale yellowish to straw-coloured oily liquid; odour of jasmine
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- Jasmone has a floral, fruity, jasmine odor. cis-Jasmone is widely used in the creation of high quality florals like jasmineand tuberose. Also used in the reconstitution of synthetic essential oils.
- 2.4 Water Solubility
- Insoluble
- 2.5 StorageTemp
- Sealed in dry,Room Temperature
3. Use and Manufacturing
- 3.1 Definition
- A ketone found in jasmine oil and other flower oils.
- 3.2 Usage
- Perfumery.
4. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26;S37/39
- 4.1 Packing Group
- II; III
- 4.1 Hazard Class
- 4.1
- 4.1 Hazard Declaration
- H315-H319-H335
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P261-P305 + P351 + P338
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- GY7301000
- 4.1 Report
-
Reported in EPA TSCA Inventory.
- 4.2 Safety
-
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
- 4.3 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.
- 4.4 Toxicity
-
| 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. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
488-10-8Total: 118 Synthesis Route
9. Other Information
- 9.0 Merck
- 14,5259
- 9.1 BRN
- 1907713
- 9.2 Description
- This has a jasmine odor.
- 9.3 Chemical Properties
- Jasmone has a floral, fruity, jasmine odor. cis-Jasmone is widely used in the creation of high quality florals like jasmine and tuberose. Also used in the reconstitution of synthetic essential oils.
- 9.4 Chemical Properties
- Colorless viscous liquid
- 9.5 Occurrence
- The cis-form is reportedly occurring naturally; it is found in the essential oils of jasmine (3%), jonquil, and Pittosporum glabratum, in neroli oil, in peppermint (Mentha piperita), and in bergamot, apricot, raspberry, cinnamon, corn mint and spearmint oils, beer, tea, soybean and heated beans.
- 9.6 Uses
- Perfumery.
- 9.7 Definition
- A ketone found in jasmine oil and other flower oils.
- 9.8 Taste threshold values
- Taste characteristics at 25 ppm: woody, bitter, tea, with a citrus and floral nuance.
- 9.9 Synthesis Reference(s)
- The Journal of Organic Chemistry, 39, p. 2317, 1974 DOI: 10.1021/jo00929a053
Synthetic Communications, 5, p. 1, 1975 DOI: 10.1080/00397917508063507
- 9.10 Chemical Synthesis
- A review and classification on the synthesis of jasmone is available.
10. Computational chemical data
- Molecular Weight: 164.248g/mol
- Molecular Formula: C11H16O
- Compound Is Canonicalized: True
- XLogP3-AA: 2.2
- Exact Mass: 164.120115130
- Monoisotopic Mass: 164.120115130
- Complexity: 233
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 17.1
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADASAgAACAAAAAACIAqBSAAAAAAAgAAAICAEAAEgAABIAAQAAAAAAgAAIAQMIgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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