HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate
JH II · JH-III · MANDUCA HORMONE · Einecs 246-072-9 · JUVENILE HORMONE 11 · UVENILE HORMONE III · JUVENILE HORMONE III · C16-JUVENILE HORMONE
Identifiers & Physical Properties
| CAS No. | 24198-95-6 |
|---|---|
| Molecular formula | C16H26O3 |
| Average molar mass | 266.38 g/mol |
| Monoisotopic mass | 266.18819469 g/mol |
| SMILES | COC(=O)/C=C(\C)CC/C=C(\C)CCC1OC1(C)C |
| InChIKey | QVJMXSGZTCGLHZ-ZPLWXOMKSA-N |
| PubChem CID | 5367549 |
| ChEMBL | CHEMBL1967398 |
| ChEBI | CHEBI:233293 |
| EC No. | 246-072-9 |
| DTXSID | DTXSID601033769 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 8 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 377 |
| Boiling point | 348.6±25.0 °C(Predicted) |
| Density | 0.966±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | DMF: 14 mg/mlDMF:PBS(pH7.2) (1:2): 0.3 mg/mlDMSO: 10 mg/mlEthanol: 12 mg/ml |
| Physical state | Oil |
| Color | Colourless to Pale Yellow |
| Biological source | synthetic (organic) |
| BRN | 1316317 |
| Stability | Light Sensitive |
| InChI | InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+ |
| InChIKey | QVJMXSGZTCGLHZ-ZPLWXOMKSA-N |
| SMILES | C(OC)(=O)/C=C(\C)/CC/C=C(\C)/CCC1C(C)(C)O1 |
| UNSPSC Code | 51111800 |
| NACRES | NA.32 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H413 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Safety statements (S) | 23-24/25 |
| Water hazard class (WGK) | 3 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Aquatic Chronic 4 |
Safety & Regulations
| GHS classification | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Water hazard class (WGK) | 3 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS07 |
| Safety statements (S) | 23-24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H413 |
| Hazard class | Aquatic Chronic 4 |
Applications & Uses
Uses
Juvenile hormone III has been used to:study the effect of juvenile hormone on mictic (sexual) female production of the rotifer Brachionus plicatilis Mullerstudy the effect of juvenile hormone on head GB19811 (putative Takeout/juvenile hormone binding protein) mRNA levels in adult honeybeesstudy the effect of juvenile hormone on gonadotropic and physiological functions in bumblebee Bombus terrestris
Uses
trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester is a metabolite (2E,6E)-Farnesenic Acid.