Ethyl diacetoacetate - CAS 603-69-0
Catalog: |
BB030670 |
Product Name: |
Ethyl diacetoacetate |
CAS: |
603-69-0 |
Synonyms: |
ethyl 2-acetyl-3-oxobutanoate |
IUPAC Name: | ethyl 2-acetyl-3-oxobutanoate |
Description: | Ethyl diacetoacetate (CAS# 603-69-0) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | CCOC(=O)C(C(=O)C)C(=O)C |
InChI: | InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3 |
InChI Key: | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
Boiling Point: | 104-105 °C (17 mmHg) |
Purity: | 95 % |
Density: | 1.104 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00009864 |
LogP: | 0.34370 |
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 |
CN-111892494-A | Preparation method of benzoic acid | 20200702 |
EP-3785692-A1 | Dental composition | 20190830 |
WO-2021037396-A1 | Dental composition | 20190830 |
CN-110358477-A | Heat cure high-gas resistance polyisobutene sealant | 20190802 |
CN-110396391-A | Ultraviolet light/moisture/hot triple curable organic silicon adhesive | 20190802 |
PMID | Publication Date | Title | Journal |
19421458 | 20090521 | Diversity-oriented synthesis of 1-hydroxy-2,4-benzodioates by regioselective [3+3] cyclocondensations of 1,3-bis(silyloxy)-1,3-butadienes with 3-alkoxy- and 3-silyloxy-2-alkoxycarbonyl-2-en-1-ones | Organic & biomolecular chemistry |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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