2,6-Dimethyl-5-heptenal - CAS 106-72-9
Catalog: |
BB001910 |
Product Name: |
2,6-Dimethyl-5-heptenal |
CAS: |
106-72-9 |
Synonyms: |
2,6-dimethylhept-5-enal |
IUPAC Name: | 2,6-dimethylhept-5-enal |
Description: | 2,6-Dimethyl-5-heptenal (CAS# 106-72-9 ) is a useful research chemical. |
Molecular Weight: | 140.22 |
Molecular Formula: | C9H16O |
Canonical SMILES: | CC(CCC=C(C)C)C=O |
InChI: | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3 |
InChI Key: | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
Boiling Point: | 184.94 °C (EPI 4.0) |
Melting Point: | -23°C |
Flash Point: | 141 °F |
Purity: | 97.0 % (sum of isomers) |
Density: | 0.845 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. |
MDL: | MFCD00006981 |
LogP: | 2.56780 |
Refractive Index: | 1.442 : 1.447 at 20 deg C |
Vapor Pressure: | 0.76 [mmHg] |
GHS Hazard Statement: | H226 (93.88%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113265299-A | Watermelon essence and electronic atomized liquid containing same | 20210421 |
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PMID | Publication Date | Title | Journal |
21495722 | 20110525 | Food volatile compounds facilitating HII mesophase formation: solubilization and stability | Journal of agricultural and food chemistry |
19809175 | 20091001 | Stereochemistry of female-specific normonoterpenes, sex pheromone candidates from the acarid mite, Tyreophagus sp. (Astigmata: Acaridae) | Bioscience, biotechnology, and biochemistry |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.120115130 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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