3,3-Dimethyl-1-butanol , ≥96% , 624-95-3

Synonym(s):
Neohexanol

CAS NO.：624-95-3

Empirical Formula: C6H14O

Molecular Weight: 102.17

MDL number: MFCD00002928

EINECS: 210-872-6

PRODUCT Properties

• Melting point: −60 °C(lit.)
• Boiling point: 143 °C(lit.)
• Density: 0.844 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.414(lit.)
• Flash point: 118 °F
• storage temp.: 2-8°C
• pka: 15.17±0.10(Predicted)
• form: clear liquid
• color: Colorless to Almost colorless
• Water Solubility: Slightly soluble in water.
• BRN: 1731466
• InChI: 1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
• InChIKey: DUXCSEISVMREAX-UHFFFAOYSA-N
• SMILES: CC(C)(C)CCO
• CAS DataBase Reference: 624-95-3(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butanol, 3,3-dimethyl-(624-95-3)
• EPA Substance Registry System: 3,3-Dimethyl-1-butanol (624-95-3)

Description and Uses

3,3-Dimethyl-1-butanol, is an organic building block used for the synthesis of various pharmaceutical compounds. It is an important intermediate in the synthesis of Neotame, an enhanced sweetening agent.

Safety

• Symbol(GHS): GHS02
• Signal word: Warning
• Hazard statements: H226
• Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P241-P280a-P501a
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Risk Statements: 10
• Safety Statements: 23-24/25-23/24/25
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• TSCA: TSCA listed
• HazardClass: 3.2
• PackingGroup: III
• HS Code: 29051990
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Flam. Liq. 3
• Limited Quantities: 5.0 L (1.3 gallons) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)