5-Methyl-2-Hexanol

• CAS: 627-59-8
• Catalog Number: ACM627598
• Category: Aryl
• Molecular Weight: 116.20
• Molecular Formula: C7H16O
• Synonyms: 1,4-Dimethyl-1-pentanol||||Isopentyl methyl carbinol~Methyl isoamyl carbinol||||5-Methylhexan-2-Ol||||(2R)-5-methylhexan-2-ol||||(2S)-5-methylhexan-2-ol
• IUPAC Name: 5-methylhexan-2-ol
• Canonical SMILES: CC(C)CCC(C)O
• InChI Key: ZDVJGWXFXGJSIU-UHFFFAOYSA-N
• Boiling Point: 148-150 °C (lit.)
• Flash Point: 46ºC
• Density: 0.81
• Appearance: clear colorless liquid
• Application: 5-Methyl-2-hexanol, is a component of essential oils from various plants. It is also used as the carbon-terminal fragment for the synthesis of 6,10,13-Trimethyl-1-tetradecanol having pheromonal activity.Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Xu, F., et al.: 34 (12), 1887 (2011); Kochansky, J., et al.: J. Chem. Ecology, 15 (6), 1717 (1989)
• EC Number: 211-004-9
• Exact Mass: 116.12000
• Hazard Statements: H226: Flammable liquid and vapour.
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: S16
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the PubChem CID for 5-Methyl-2-hexanol?

PubChem CID is 12323.

What is the molecular formula of 5-Methyl-2-hexanol?

The molecular formula is C7H16O.

What is the molecular weight of 5-Methyl-2-hexanol?

The molecular weight is 116.20 g/mol.

What is the IUPAC name of 5-Methyl-2-hexanol?

The IUPAC name is 5-methylhexan-2-ol.

What is the InChI of 5-Methyl-2-hexanol?

The InChI is InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3.

What is the InChIKey of 5-Methyl-2-hexanol?

The InChIKey is ZDVJGWXFXGJSIU-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Methyl-2-hexanol?

The canonical SMILES is CC(C)CCC(C)O.

What is the CAS number of 5-Methyl-2-hexanol?

The CAS number is 627-59-8.

What is the European Community (EC) number of 5-Methyl-2-hexanol?

The European Community (EC) number is 211-004-9.

Is 5-Methyl-2-hexanol a canonicalized compound?

Yes, 5-Methyl-2-hexanol is a canonicalized compound.