cis-3,7-Dimethyl-2,6-octadien-1-yl acetate - CAS 141-12-8
Catalog: |
BB009157 |
Product Name: |
cis-3,7-Dimethyl-2,6-octadien-1-yl acetate |
CAS: |
141-12-8 |
Synonyms: |
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate |
IUPAC Name: | [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate |
Description: | cis-3,7-Dimethyl-2,6-octadien-1-yl acetate (CAS# 141-12-8 ) is a useful research chemical. |
Molecular Weight: | 196.29 |
Molecular Formula: | C12H20O2 |
Canonical SMILES: | CC(=CCCC(=CCOC(=O)C)C)C |
InChI: | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- |
InChI Key: | HIGQPQRQIQDZMP-FLIBITNWSA-N |
Boiling Point: | 240.00 °C (EPI 4.0) |
Flash Point: | 210 °F |
Purity: | 97.0 % |
Density: | 0.91 g/cm3 |
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: | MFCD00063205 |
LogP: | 3.24220 |
Refractive Index: | 1.458 : 1.464 at 20 deg C |
GHS Hazard Statement: | H315 (16.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29745075 | 20180301 | Geraniol and geranyl acetate induce potent anticancer effects in colon cancer Colo-205 cells by inducing apoptosis, DNA damage and cell cycle arrest | Journal of B.U.ON. : official journal of the Balkan Union of Oncology |
22069217 | 20120701 | Comparison of headspace solid-phase microextraction, headspace single-drop microextraction and hydrodistillation for chemical screening of volatiles in Myrtus communis L | Phytochemical analysis : PCA |
21899389 | 20120101 | Characterization of biofumigated Ralstonia solanacearum cells using micro-Raman spectroscopy and electron microscopy | Phytopathology |
21985708 | 20120101 | Essential oil composition of two unique ginger (Zingiber officinale Roscoe) cultivars from Sikkim | Natural product research |
22188569 | 20120101 | Control of stored grain pest, Callosobruchus maculatus (F.) (Coleoptera: Bruchidae) using the essential oil isolated from Plectranthus zeylanicus | Natural product research |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 196.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.146329876 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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