3,4-Dihydroxy-5-methoxybenzaldehyde - CAS 3934-87-0
Catalog: |
BB023942 |
Product Name: |
3,4-Dihydroxy-5-methoxybenzaldehyde |
CAS: |
3934-87-0 |
Synonyms: |
Benzaldehyde, 3,4-dihydroxy-5-methoxy-; Protocatechualdehyde, 5-methoxy-; 3-Methoxy-4,5-dihydroxybenzaldehyde; 4,5-Dihydroxy-3-methoxybenzaldehyde; 5-Hydroxyvanillin; NSC 16679 |
IUPAC Name: | 3,4-dihydroxy-5-methoxybenzaldehyde |
Description: | 3,4-Dihydroxy-5-methoxybenzaldehyde (CAS# 3934-87-0) is a reagent used in pharmaceutical synthesis including the preparation of curcumin derivatives displaying antinflammatory activity. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC1=CC(=CC(=C1O)O)C=O |
InChI: | InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3 |
InChI Key: | RRKMWVISRMWBAL-UHFFFAOYSA-N |
Boiling Point: | 339.9±37.0°C at 760 mmHg |
Melting Point: | 129-131°C |
Purity: | ≥95% |
Density: | 1.378±0.06 g/cm3 |
Appearance: | Light Grey or Brown Solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD00016610 |
LogP: | 0.91890 |
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 |
US-11104632-B1 | Metabolically stable vanillin derivatives for the treatment of hypoxia | 20200512 |
DE-102019218788-A1 | Multi-tonal hair coloring process in three steps | 20191203 |
WO-2021110306-A1 | Multi-tone hair dyeing method in three steps | 20191203 |
CN-112442158-A | Bio-based degradable benzoxazine resin, preparation method thereof, cured resin thereof, compound thereof and degradation method | 20190827 |
DE-102019210983-A1 | Increasing the stability of agents for treating keratin material | 20190724 |
PMID | Publication Date | Title | Journal |
22981490 | 20121115 | A framework for identifying characteristic odor compounds in municipal wastewater effluent | Water research |
20427467 | 20100601 | Sequencing around 5-hydroxyconiferyl alcohol-derived units in caffeic acid O-methyltransferase-deficient poplar lignins | Plant physiology |
19396178 | 20090601 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor | Nature chemical biology |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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