| Identification | Back Directory | [Name]
5-METHYL-1-HEXANOL | [CAS]
627-98-5 | [Synonyms]
5-METHYLHEXANOL
ISOHEPTYL ALCOHOL
5-methylhexan-1-ol
5-METHYL-1-HEXANOL
1-Hexanol, 5-methyl-
Isometheptene Impurity B
2-butyl-5-methyl-hexanoic acid
3-hydroxy-7-methyloctanoic acid | [EINECS(EC#)]
211-023-2 | [Molecular Formula]
C7H16O | [MDL Number]
MFCD00072703 | [MOL File]
627-98-5.mol | [Molecular Weight]
116.2 |
| Chemical Properties | Back Directory | [Melting point ]
-30.45°C (estimate) | [Boiling point ]
167-168 °C (lit.) | [density ]
0.823 g/mL at 25 °C (lit.) | [refractive index ]
n20/D 1.422(lit.) | [Fp ]
165 °F | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Oil | [pka]
15.20±0.10(Predicted) | [color ]
Colourless | [InChI]
1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3 | [InChIKey]
ZVHAANQOQZVVFD-UHFFFAOYSA-N | [SMILES]
CC(C)CCCCO | [LogP]
2.290 (est) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-38 | [Safety Statements ]
26 | [RIDADR ]
UN 1987 3/PG 3 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 3
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
5-Methylhexanol is an intermediate used in the synthesis of flavolipids as antitumor agents. | [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
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