7,8-Dihydro-α-ionone - CAS 31499-72-6
Catalog: |
BB020944 |
Product Name: |
7,8-Dihydro-α-ionone |
CAS: |
31499-72-6 |
Synonyms: |
4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one |
IUPAC Name: | 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one |
Description: | 7,8-Dihydro-α-ionone (CAS# 31499-72-6 ) is a useful research chemical. |
Molecular Weight: | 194.31 |
Molecular Formula: | C13H22O |
Canonical SMILES: | CC1=CCCC(C1CCC(=O)C)(C)C |
InChI: | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3 |
InChI Key: | JHJCHCSUEGPIGE-UHFFFAOYSA-N |
Boiling Point: | 254.20 °C (EPI 4.0) |
Flash Point: | 98°C |
Density: | 0.922 g/mL at 20 °C(lit.) |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00036599 |
LogP: | 3.73810 |
Refractive Index: | 1.473 : 1.480 at 20 deg C |
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 |
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PMID | Publication Date | Title | Journal |
18243420 | 20081101 | Chemotherapy of leishmaniasis part-VIII: synthesis and bioevaluation of novel chalcones | European journal of medicinal chemistry |
18666542 | 20080601 | Insecticidal activity of Valeriana jatamansi (Valerianaceae) against mosquitoes | Journal of the American Mosquito Control Association |
18031905 | 20070101 | Fragrance material review on dihydro-alpha-ionone | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.167065321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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