Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-

Base Information

• Chemical Name: Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-
• CAS No.: 2990-31-0
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• NSC Number: 77993
• DSSTox Substance ID: DTXSID50291789
• Nikkaji Number: J100.257K
• Wikidata: Q82029848
• Mol file: 2990-31-0.mol

Synonyms:4,6-Dihydroxy-2,3-dimethylbenzaldehyde;2990-31-0;Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-;5-Methylorcylaldehyde;2,4-Dihydroxy-5,6-dimethylbenzaldehyde;NSC77993;.beta.-Resorcylaldehyde, 5,6-dimethyl-;SCHEMBL10470456;DTXSID50291789;CHEBI:146173;5,6-dimethyl-beta-resorcylaldehyde;.beta.-Resorcylaldehyde,6-dimethyl-;NSC-77993;2,4-dihydroxy 5,6-dimethylbenzaldehyde;Benzaldehyde,6-dihydroxy-2,3-dimethyl-;2,4-dihydroxy 5,6-dimethyl benzaldehyde;4,6-Dihydroxy-2,3-dimethylbenzaldehyde #

Chemical Property of Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-

Chemical Property:

• Vapor Pressure: 9.62E-05mmHg at 25°C
• Boiling Point: 328.9°Cat760mmHg
• Flash Point: 166.9°C
• PSA: 57.53000
• Density: 1.273g/cm³
• LogP: 1.52710
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1O)O)C=O)C

Technology Process of Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-

There total 7 articles about Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

4,5-dimethylresorcinol (527-55-9) → 2,4-dihydroxy 5,6-dimethylbenzaldehyde (2990-31-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; nitrogen; In diethyl ether; water;

Reference yield:

5-methylorsellinic acid (519-42-6) → 2,4-dihydroxy 5,6-dimethylbenzaldehyde (2990-31-0)

Guidance literature:

With nonribosomal peptide synthase-like protein ATEG_03630 from Saccharomyces cerevisiae BJ₅₄₆₄-NpgA strain; ATP; NADPH; magnesium chloride; In aq. buffer; at 20 ℃; pH=8.5; Enzymatic reaction;

DOI:10.1016/j.chembiol.2013.12.005

Reference yield:

hydrogen cyanide (74-90-8) + 4,5-dimethylresorcinol (527-55-9) → 2,4-dihydroxy 5,6-dimethylbenzaldehyde (2990-31-0)

Guidance literature:

With hydrogenchloride; diethyl ether; Erhitzen des Reaktionsprodukts mit Wasser;

DOI:10.1002/hlca.19430260313

upstream raw materials:

hydrogen cyanide

4,5-dimethylresorcinol

hydrogenchloride

diethyl ether

Downstream raw materials:

4-benzyloxy-6-hydroxy-2,3-dimethyl-benzaldehyde

2-hydroxy-5,6-dimethyl-4-methoxybenzaldehyde

2,4-Dimethoxy-5,6-dimethylbenzaldehyd

2-Hydroxy-4-methoxy-5,6-dimethylbenzylalkohol

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