2-Butyl-1-Octanol

• Catalog Number: ACM3913028
• Product Name: 2-Butyl-1-Octanol
• CAS: 3913-02-8
• Category: Alkynyl
• Synonyms: Isolauryl Aclohohol
• IUPAC Name: 2-Butyloctan-1-ol
• Molecular Weight: 186.33
• Molecular Formula: C12H26O
• Canonical SMILES: CCCCCCC(CCCC)CO
• InChI: XMVBHZBLHNOQON-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
• Boiling Point: 145-149 °C
• Melting Point: -80 °C(lit.)
• Flash Point: 113 °C
• Density: 0.833g/ml
• Appearance: Clear liquid
• Assay: 0.99
• Hazard Statements: H302-H318
• Packaging: 1 ton
• Physical State: Liquid
• Refractive Index: 1.439
• RIDADR: NONH for all modes of transport
• Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-butyl-1-octanol?

The molecular formula of 2-butyl-1-octanol is C12H26O.

What is the molecular weight of 2-butyl-1-octanol?

The molecular weight of 2-butyl-1-octanol is 186.33 g/mol.

What is the IUPAC name of 2-butyl-1-octanol?

The IUPAC name of 2-butyl-1-octanol is 2-butyloctan-1-ol.

What is the InChI code of 2-butyl-1-octanol?

The InChI code of 2-butyl-1-octanol is InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3.

What is the InChIKey of 2-butyl-1-octanol?

The InChIKey of 2-butyl-1-octanol is XMVBHZBLHNOQON-UHFFFAOYSA-N.

What is the canonical SMILES code of 2-butyl-1-octanol?

The canonical SMILES code of 2-butyl-1-octanol is CCCCCCC(CCCC)CO.

What is the CAS number of 2-butyl-1-octanol?

The CAS number of 2-butyl-1-octanol is 3913-02-8.

What is the XLogP3-AA value of 2-butyl-1-octanol?

The XLogP3-AA value of 2-butyl-1-octanol is 4.8.

How many rotatable bonds does 2-butyl-1-octanol have?

2-butyl-1-octanol has 9 rotatable bonds.

What is the topological polar surface area of 2-butyl-1-octanol?

The topological polar surface area of 2-butyl-1-octanol is 20.2Ų.