3-(Hydroxymethyl)pentane-2,4-diol

Base Information

• Chemical Name: 3-(Hydroxymethyl)pentane-2,4-diol
• CAS No.: 921-20-0
• Molecular Formula: C6H14 O3
• Molecular Weight: 134.17356
• European Community (EC) Number: 213-065-7
• UNII: 2Z5R72DE0X
• DSSTox Substance ID: DTXSID3041370
• Nikkaji Number: J25.793A
• Wikidata: Q27255835
• ChEMBL ID: CHEMBL3187563
• Mol file: 921-20-0.mol

Synonyms:3-(hydroxymethyl)pentane-2,4-diol;921-20-0;3-Hydroxymethylpentane-2,4-diol;2,4-PENTANEDIOL, 3-(HYDROXYMETHYL)-;EINECS 213-065-7;UNII-2Z5R72DE0X;2Z5R72DE0X;DTXSID3041370;3-Hydroxymethyl-2,4-pentanediol;SCHEMBL344706;CHEMBL3187563;DTXCID1021370;Tox21_301877;2,4-dihydroxy-3-hydroxymethylpentane;2-(1-Hydroxyethyl)-1,3-butanediol;AKOS024430224;2,4-dihydroxy-3-(hydroxymethyl)pentane;NCGC00255535-01;CAS-921-20-0;J25.793A;3-(HYDROXYMETHYL)-2,4-PENTANEDIOL;Q27255835

Chemical Property of 3-(Hydroxymethyl)pentane-2,4-diol

Chemical Property:

• Vapor Pressure: 0.000304mmHg at 25°C
• Boiling Point: 286.2°Cat760mmHg
• PKA: 14.48±0.20(Predicted)
• Flash Point: 141.8°C
• PSA: 60.69000
• Density: 1.106g/cm³
• LogP: -0.64350
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 66.7

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(CO)C(C)O)O