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3,3-Dimethyl-1-butanol Structure

3,3-Dimethyl-1-butanol

  • Product Name3,3-Dimethyl-1-butanol
  • CAS624-95-3
  • CBNumberCB5496686
  • MFC6H14O
  • MW102.17
  • EINECS210-872-6
  • MDL NumberMFCD00002928
  • MOL File624-95-3.mol

Chemical 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
Henry's Law Constant 1.0×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017)
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)

Safety

Symbol(GHS)  Flame (GHS02)
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)
NFPA 704:
2
0 0

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3,3-Dimethyl-1-butanol Chemical Properties,Usage,Production

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