3,4-Diethoxybenzaldehyde - CAS 2029-94-9
Catalog: |
BB015783 |
Product Name: |
3,4-Diethoxybenzaldehyde |
CAS: |
2029-94-9 |
Synonyms: |
3,4-diethoxybenzaldehyde |
IUPAC Name: | 3,4-diethoxybenzaldehyde |
Description: | 3,4-Diethoxybenzaldehyde (CAS# 2029-94-9) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C=O)OCC |
InChI: | InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3 |
InChI Key: | SSTRYEXQYQGGAS-UHFFFAOYSA-N |
Boiling Point: | 293-294 °C |
Flash Point: | 129°C |
Purity: | 95.0%(HPLC) |
Density: | 1.097 g/cm3 |
Solubility: | water, 472.2 mg/L @ 25 °C (est) |
Appearance: | Pale yellow liquid |
MDL: | MFCD00016607 |
LogP: | 2.29650 |
Refractive Index: | 1.557 |
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 |
WO-2020187733-A1 | Use of 4,8,11-dodecatrienal to impart a clean aroma impression to a composition. | 20190315 |
CN-110386893-A | Isoindole derivatives | 20180417 |
WO-2019201255-A1 | Isoindole derivative | 20180417 |
AU-2019254962-A1 | Isoindole derivatives | 20180417 |
CA-3094029-A1 | Isoindole derivatives | 20180417 |
PMID | Publication Date | Title | Journal |
22806740 | 20121001 | Biodegradation of drotaverine hydrochloride by free and immobilized cells of Rhodococcus rhodochrous IEGM 608 | World journal of microbiology & biotechnology |
12605679 | 20030101 | Cleavage of nonphenolic beta-1 diarylpropane lignin model dimers by manganese peroxidase from Phanerochaete chrysosporium | European journal of biochemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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