(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone - CAS 488-10-8
Catalog: |
BB026596 |
Product Name: |
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone |
CAS: |
488-10-8 |
Synonyms: |
3-methyl-2-[(Z)-pent-2-enyl]-1-cyclopent-2-enone; 3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one |
IUPAC Name: | 3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one |
Description: | (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone (CAS# 488-10-8 ) is a useful research chemical. |
Molecular Weight: | 164.24 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CCC=CCC1=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- |
InChI Key: | XMLSXPIVAXONDL-PLNGDYQASA-N |
Boiling Point: | 258.00 °C (EPI 4.0) |
Melting Point: | 203 - 205°C |
Flash Point: | 107 °C (225 °F) - closed cup |
Purity: | 99.5 % (sum of isomers) |
Density: | 0.94 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Pale yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
Decomposition: | When heated to decomposition it emits acrid smoke and irritatiing vapors |
MDL: | MFCD00001402 |
LogP: | 3.02210 |
Refractive Index: | 1.495 : 1.503 at 20 deg C |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.029 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22445665 | 20121001 | Fragrance material review on cis-jasmone | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22696464 | 20121001 | Activation of defence in sweet pepper, Capsicum annum, by cis-jasmone, and its impact on aphid and aphid parasitoid behaviour | Pest management science |
22516741 | 20120601 | Aphid antixenosis in cotton is activated by the natural plant defence elicitor cis-jasmone | Phytochemistry |
22428256 | 20120101 | Liquid CO2 extraction of Jasminum grandiflorum and comparison with conventional processes | Natural product communications |
21664180 | 20110901 | Predication of Japanese green tea (Sen-cha) ranking by volatile profiling using gas chromatography mass spectrometry and multivariate analysis | Journal of bioscience and bioengineering |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 164.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.120115130 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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