65965

3-Methyl-1,3-butanediol

≥97.0% (GC)

• Synonym(s): 1,1-Dimethyl-1,3-propanediol, 1,3-Dihydroxy-3-methylbutane, 2-Methyl-2,4-butanediol, 3,3-Dimethyl-1,3-propanediol, 3-Hydroxy-3-methylbutan-1-ol, 3-Hydroxy-3-methylbutanol, 3-Methyl-1,3-butanediol, 3-Methyl-3-hydroxy-1-butyl alcohol, Isoprene glycol
• Linear Formula: (CH₃)₂C(OH)CH₂CH₂OH
• CAS Number: 2568-33-4
• Molecular Weight: 104.15
• Beilstein: 1209241
• MDL number: MFCD00059655
• UNSPSC Code: 12352100
• PubChem Substance ID: 57652045
• NACRES: NA.22

Properties

• Assay: ≥97.0% (GC)
• impurities: ≤1% water
• refractive index: n20/D 1.442
• bp: 203-205 °C (lit.)
• density: 0.976 g/mL at 20 °C (lit.)
• functional group: hydroxyl
• SMILES string: CC(C)(O)CCO
• InChI: 1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
• InChI key: XPFCZYUVICHKDS-UHFFFAOYSA-N

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 221.0 °F - closed cup
• Flash Point(C): 105 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves