493953

5-Methyl-1-hexanol

97%

• Synonym(s): 5-Methylhexanol
• Linear Formula: (CH₃)₂CH(CH₂)₄OH
• CAS Number: 627-98-5
• Molecular Weight: 116.20
• EC Number: 211-023-2
• MDL number: MFCD00072703
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872868
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.422 (lit.)
• bp: 167-168 °C (lit.)
• density: 0.823 g/mL at 25 °C (lit.)
• functional group: hydroxyl
• SMILES string: CC(C)CCCCO
• InChI: 1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
• InChI key: ZVHAANQOQZVVFD-UHFFFAOYSA-N

Description

General description

5-Methyl-1-hexanol, an aliphatic alcohol, can be prepared by the reduction of 5-methylhexanoic acid. It is predicted to have a fruity odor based on fuzzy partition and self organising maps (SOM) analysis data.
5-Methyl-1-hexanol is a volatile organic compound found in:

• Alstonia boonei leaves
• ‘Hayward′ and ‘Hort16A′ kiwifruit
• Tuber melanosporum fruiting body

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302,H315
• Precautionary Statements: P210 - P301 + P312 + P330 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 86.0 °F
• Flash Point(C): 30 °C