Ethyl isodehydracetate - CAS 3385-34-0
Catalog: |
BB021867 |
Product Name: |
Ethyl isodehydracetate |
CAS: |
3385-34-0 |
Synonyms: |
ethyl 2,4-dimethyl-6-oxopyran-3-carboxylate |
IUPAC Name: | ethyl 2,4-dimethyl-6-oxopyran-3-carboxylate |
Description: | Ethyl isodehydracetate (CAS# 3385-34-0) is used in the synthesis of bidentate ligands. Also used in the preparation of insect growth regulators with juvenile hormone activity. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | CCOC(=O)C1=C(OC(=O)C=C1C)C |
InChI: | InChI=1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3 |
InChI Key: | FBPWNVQUVXSXKS-UHFFFAOYSA-N |
Boiling Point: | 290-295 °C |
Melting Point: | 17-18 °C |
Purity: | 95 % |
Density: | 1.167 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006643 |
LogP: | 1.43330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-6907424-B1 | Diamine compounds, polymers, liquid crystal alignment agents, liquid crystal alignment films, and liquid crystal display elements, and methods for producing liquid crystal alignment films, methods for producing diamine compounds, methods for producing dinitro compounds and dinitro compounds, and protected diamino compounds. | 20200525 |
CN-105713553-A | Silicone sealant for aluminum alloy doors/windows | 20160506 |
EP-2513061-A1 | Pyridone derivatives as nk3 antagonists | 20091215 |
US-2011144164-A1 | Pyridone derivatives as NK3 antagonists | 20091215 |
US-8207347-B2 | Pyridone derivatives as NK3 antagonists | 20091215 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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