3,7-Dimethyl-2,6-octadienyl acetate - CAS 16409-44-2
Catalog: |
BB012074 |
Product Name: |
3,7-Dimethyl-2,6-octadienyl acetate |
CAS: |
16409-44-2 |
Synonyms: |
3,7-dimethylocta-2,6-dienyl acetate |
IUPAC Name: | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
Description: | 3,7-Dimethyl-2,6-octadienyl acetate (CAS# 16409-44-2 ) 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 |
InChI Key: | HIGQPQRQIQDZMP-UHFFFAOYSA-N |
Boiling Point: | 247.5 °C at 760 mmHg |
Melting Point: | < 25 °C |
Flash Point: | 98.9°C |
Density: | 0.904 g/cm3 |
Solubility: | water, 18.24 mg/L @ 25 °C (est) |
Appearance: | Clear, Colorless liquid |
Storage: | 2-8°C |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00015037 |
LogP: | 3.24220 |
Refractive Index: | n20/D 1.462 |
Vapor Pressure: | 0.02 mmHg at 68 °F ; 1 mmHg at 164.3 °F |
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 |
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 |
22518079 | 20120401 | Antioxidant and antibacterial activities of the leaf essential oil and its constituents furanodienone and curzerenone from Lindera pulcherrima (Nees.) Benth. ex hook. f | Pharmacognosy research |
21876714 | 20120101 | Essential oils composition and antioxidant properties of three thymus species | Evidence-based complementary and alternative medicine : eCAM |
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: | 0 |
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: | 1 |
XLogP3: | 3.5 |
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