Ethyl 2-trans-4-cis-decadienoate - CAS 3025-30-7
Catalog: |
BB020504 |
Product Name: |
Ethyl 2-trans-4-cis-decadienoate |
CAS: |
3025-30-7 |
Synonyms: |
ethyl (2E,4Z)-deca-2,4-dienoate |
IUPAC Name: | ethyl (2E,4Z)-deca-2,4-dienoate |
Description: | Ethyl 2-trans-4-cis-decadienoate (CAS# 3025-30-7) is a sex pheromone of codling moth. |
Molecular Weight: | 196.29 |
Molecular Formula: | C12H20O2 |
Canonical SMILES: | CCCCCC=CC=CC(=O)OCC |
InChI: | InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+ |
InChI Key: | OPCRGEVPIBLWAY-QNRZBPGKSA-N |
Boiling Point: | 258.41 °C (EPI 4.0) |
Purity: | 98.0 % (sum of isomers) |
Density: | 0.917-0.920 |
Solubility: | Insoluble in water;sol. in alcohol @ 1% |
Appearance: | Colorless to slightly yellow liquid |
Storage: | Store tightly sealed under inert gas below 0 deg. C |
MDL: | MFCD00082225 |
LogP: | 3.24220 |
Refractive Index: | 1.485 : 1.490 at 20 deg C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
JP-2021102661-A | Pest control composition and control method | 20210416 |
PMID | Publication Date | Title | Journal |
22732619 | 20120601 | Behavior of codling moth (Lepidoptera: Tortricidae) neonate larvae on surfaces treated with microencapsulated pear ester | Environmental entomology |
22507015 | 20120401 | Evaluating dispensers loaded with codlemone and pear ester for disruption of codling moth (Lepidoptera: Tortricidae) | Environmental entomology |
22507016 | 20120401 | Monitoring codling moth (Lepidoptera: Tortricidae) in sex pheromone-treated orchards with (E)-4,8-dimethyl-1,3,7-nonatriene or pear ester in combination with codlemone and acetic acid | Environmental entomology |
21882697 | 20110801 | Microencapsulated pear ester enhances insecticide efficacy in walnuts for codling moth (Lepidoptera: Tortricidae) and navel orangeworm (Lepidoptera: Pyralidae) | Journal of economic entomology |
20839888 | 20100922 | Phytotoxicity of sarmentine isolated from long pepper (Piper longum) fruit | Journal of agricultural and food chemistry |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
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: | 8 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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