2-Ethoxy-4-formylphenyl 2-Methylpropanoate - CAS 188417-26-7
Catalog: |
BB066136 |
Product Name: |
2-Ethoxy-4-formylphenyl 2-Methylpropanoate |
CAS: |
188417-26-7 |
Synonyms: |
Ethyl vanillin isobutyrate; 2-Ethoxy-4-formylphenyl isobutyrate; 2-ethoxy-4-formylphenyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 2-ethoxy-4-formylphenyl ester; ethylvanillin isobutyrate; (2-ethoxy-4-formylphenyl) 2-methylpropanoate; 4-Isobutanoyloxy-3-ethoxybenzaldehyde |
IUPAC Name: | (2-ethoxy-4-formylphenyl) 2-methylpropanoate |
Description: | 2-ethoxy-4-formylphenyl 2-methylpropanoate (cas# 188417-26-7) is a useful research chemical. |
Molecular Weight: | 236.27 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C |
InChI: | InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3 |
InChI Key: | BTCQMCOBMIXUCG-UHFFFAOYSA-N |
Boiling Point: | 295.00 to 296.00 °C at 760.00 mm Hg |
Melting Point: | 167-169°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Beige Solid |
Storage: | 4°C, Hygroscopic |
LogP: | 1.719 (est) |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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