3-Methyl-2-Buten-1-Ol

• Catalog Number: ACM556821
• Product Name: 3-Methyl-2-Buten-1-Ol
• CAS: 556-82-1
• Category: Heterocyclic Organic Compound
• Synonyms: Dimethylallylalcohol
• IUPAC Name: 3-Methylbut-2-en-1-ol
• Molecular Weight: 86.13
• Molecular Formula: C5H10O
• Canonical SMILES: CC(=CCO)C
• InChI: InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
• InChI Key: ASUAYTHWZCLXAN-UHFFFAOYSA-N
• Boiling Point: 140 °C(lit.)
• Melting Point: 43.52 °C
• Flash Point: 110 °F
• Density: 0.848 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water, soluble in fats
• Appearance: Clear colorless to very slightly yellow liquid
• Storage: Sealed in dry, 2-8 °C
• Complexity: 51
• Exact Mass: 86.073164938
• Hazard Statements: Xn
• Monoisotopic Mass: 86.073164938
• pKa: 14.83±0.10(Predicted)
• Refractive Index: n20/D 1.443(lit.)
• RIDADR: UN 3295BE 3 / PGII
• Safety Description: 26-36-37-23-16
• Supplemental Hazard Statements: H226-H302-H315-H319-H335-H313
• Symbol: GHS02,GHS07
• Topological Polar Surface Area: 20.2 Ų