trans,trans-2,4-Hexadienyl acetate - CAS 1516-17-2
Catalog: |
BB010694 |
Product Name: |
trans,trans-2,4-Hexadienyl acetate |
CAS: |
1516-17-2 |
Synonyms: |
[(2E,4E)-hexa-2,4-dienyl] acetate |
IUPAC Name: | [(2E,4E)-hexa-2,4-dienyl] acetate |
Description: | trans,trans-2,4-Hexadienyl acetate (CAS# 1516-17-2 ) is a useful research chemical. |
Molecular Weight: | 140.18 |
Molecular Formula: | C8H12O2 |
Canonical SMILES: | CC=CC=CCOC(=O)C |
InChI: | InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+ |
InChI Key: | PXVKYPFROMBALG-VNKDHWASSA-N |
Boiling Point: | 182.96 °C (EPI 4.0) |
Flash Point: | 83°C |
Purity: | 98.0 % |
Density: | 0.93 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00036521 |
LogP: | 1.68180 |
Refractive Index: | 1.468 : 1.478 at 20 deg C |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10287239-B1 | Methods and compositions for terpenoid tricycloalkane synthesis | 20180516 |
US-10487047-B1 | Methods and compositions for terpenoid tricycloalkane synthesis | 20180516 |
US-2019352254-A1 | Methods and compositions for terpenoid tricycloalkane synthesis | 20180516 |
US-2020002272-A1 | Methods and compositions for terpenoid tricycloalkane synthesis | 20180516 |
US-2020399206-A1 | Methods and compositions for terpenoid tricycloalkane synthesis | 20180516 |
PMID | Publication Date | Title | Journal |
12956510 | 20030801 | Pheromones of milkweed bugs (Heteroptera: Lygaeidae) attract wayward plant bugs: Phytocoris mirid sex pheromone | Journal of chemical ecology |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 140.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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