2,6-Dimethyl-4-heptanol , >85.0%(GC) , 108-82-7

CAS NO.：108-82-7

Empirical Formula: C9H20O

Molecular Weight: 144.25

MDL number: MFCD00008944

EINECS: 203-619-6

PRODUCT Properties

• Melting point: -65.15°C
• Boiling point: 178 °C(lit.)
• Density: 0.809 g/mL at 25 °C(lit.)
• FEMA: 3140 | 2,6-DIMETHYL-4-HEPTANOL
• refractive index: n20/D 1.423(lit.)
• Flash point: 158 °F
• form: clear liquid
• pka: 15.31±0.20(Predicted)
• color: Colorless to Almost colorless
• Odor: Characteristic.
• Odor Type: ethereal
• Water Solubility: insoluble
• JECFA Number: 303
• Henry's Law Constant: 1.0×10^-1 mol/(m³Pa) at 25℃, Brockbank (2013)
• Cosmetics Ingredients Functions: PERFUMING
• InChI: 1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
• InChIKey: HXQPUEQDBSPXTE-UHFFFAOYSA-N
• SMILES: CC(C)CC(O)CC(C)C
• LogP: 3.08
• CAS DataBase Reference: 108-82-7(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Heptanol, 2,6-dimethyl-(108-82-7)
• EPA Substance Registry System: 4-Heptanol, 2,6-dimethyl- (108-82-7)

Description and Uses

2,6-Dimethyl-4-heptanol may be used in the preparation of the protected β-hydroxybutyrates. It may also be used as a hydrogen donor during the dynamic kinetic resolution (DKR) of various diols, monoprotected diols and the protected hydroxy aldehydes.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H227
• Precautionary statements: P210-P280-P370+P378-P403+P235-P501
• PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25
• RIDADR: NA 1993 / PGIII
• WGK Germany: 2
• RTECS: MJ3325000
• TSCA: TSCA listed
• HS Code: 2905190098
• Storage Class: 10 - Combustible liquids
• Hazardous Substances Data: 108-82-7(Hazardous Substances Data)
• Toxicity: mouse,LD50,oral,3530mg/kg (3530mg/kg),Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.