3-(Hydroxymethyl)-5-methoxy-2-methylhexanedial

Base Information

• Chemical Name: 3-(Hydroxymethyl)-5-methoxy-2-methylhexanedial
• CAS No.: 9047-50-1
• Deprecated CAS: 12653-84-8,86220-77-1,9041-74-1,37234-67-6
• Molecular Formula: C9H16O4
• Molecular Weight: 188.2209
• DSSTox Substance ID: DTXSID20925584
• Wikidata: Q5270496
• Mol file: 9047-50-1.mol

Synonyms:3-(hydroxymethyl)-5-methoxy-2-methylhexanedial;SCHEMBL15048899;DTXSID20925584;Q5270496;3,4-dideoxy-2-O-methyl-4-(1-oxopropan-2-yl)pentose;12653-84-8

Chemical Property of 3-(Hydroxymethyl)-5-methoxy-2-methylhexanedial

Chemical Property:

• Vapor Pressure: 8.49E-05mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 304.1 ºC at 760 mmHg
• Flash Point: 115.5 ºC
• PSA: 66.51000
• Density: 1.065 g/cm³
• LogP: 5.57820
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Aqueous Base (Slightly, Heated)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

PolydialdehydeStarch(PolymericDialdehyde) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C(CC(C=O)OC)CO