2-Methoxyethyl acetoacetate - CAS 22502-03-0
Catalog: |
BB017637 |
Product Name: |
2-Methoxyethyl acetoacetate |
CAS: |
22502-03-0 |
Synonyms: |
2-methoxyethyl 3-oxobutanoate |
IUPAC Name: | 2-methoxyethyl 3-oxobutanoate |
Description: | 2-Methoxyethyl acetoacetate (CAS# 22502-03-0) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CC(=O)CC(=O)OCCOC |
InChI: | InChI=1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3 |
InChI Key: | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
Boiling Point: | 120 °C (20 mmHg) |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
Appearance: | Clear, colorless liquid. |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00009648 |
LogP: | 0.15510 |
GHS Hazard Statement: | H315 (56.41%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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