6-Methyl-5-hepten-2-one - CAS 110-93-0
Catalog: |
BB002692 |
Product Name: |
6-Methyl-5-hepten-2-one |
CAS: |
110-93-0 |
Synonyms: |
6-methylhept-5-en-2-one |
IUPAC Name: | 6-methylhept-5-en-2-one |
Description: | 6-Methyl-5-hepten-2-one (CAS# 110-93-0) is used in the synthesis of thyrsiferyl 23-Acetate which acts as an anti-leukemic inducer of apoptosis. |
Molecular Weight: | 126.20 |
Molecular Formula: | C8H14O |
Canonical SMILES: | CC(=CCCC(=O)C)C |
InChI: | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
InChI Key: | UHEPJGULSIKKTP-UHFFFAOYSA-N |
Boiling Point: | 73 °C (18 mmHg) |
Melting Point: | -67.1°C |
Flash Point: | 50°C |
Density: | 0.855 g/cm3 |
Solubility: | water, 3351 /mg/L @ 20 °C (exp) |
Appearance: | Clear slightly yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00008905 |
LogP: | 2.32180 |
Refractive Index: | 1.439-1.441 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
Vapor Pressure: | 0.75 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22945026 | 20120903 | Fumigant antifungal activity of Myrtaceae essential oils and constituents from Leptospermum petersonii against three Aspergillus species | Molecules (Basel, Switzerland) |
22162874 | 20120301 | Identification, functional characterization, and regulation of the enzyme responsible for floral (E)-nerolidol biosynthesis in kiwifruit (Actinidia chinensis) | Journal of experimental botany |
22279069 | 20120215 | Smelling your way to food: can bed bugs use our odour? | The Journal of experimental biology |
22291693 | 20120101 | Essential oils in food preservation: mode of action, synergies, and interactions with food matrix components | Frontiers in microbiology |
22384116 | 20120101 | Herbivory by a Phloem-feeding insect inhibits floral volatile production | PloS one |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.104465066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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