Basic information Safety Supplier Related

3,3-DIMETHYL-1-BUTANOL

Basic information Safety Supplier Related

3,3-DIMETHYL-1-BUTANOL Basic information

Product Name:
3,3-DIMETHYL-1-BUTANOL
Synonyms:
  • 3,3-DIMETHYL-1-BUTANOL, 98%3,3-DIMETHYL-1-BUTANOL, 98%3,3-DIMETHYL-1-BUTANOL, 98%
  • Dimethylbutanol
  • 3,3-Dimethylbutanol
  • 3,3-Dimethylbutane-1-ol
  • 3,3-dimethyl-1-butano
  • 3,3-dimethyl-butan-1-ol
  • 3,3-dimethylbutan-1-ol
  • 3,3-DIMETHYL-1-BUTANOL
CAS:
624-95-3
MF:
C6H14O
MW:
102.17
EINECS:
210-872-6
Product Categories:
  • Alcohols
  • C2 to C6
  • Oxygen Compounds
Mol File:
624-95-3.mol
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3,3-DIMETHYL-1-BUTANOL 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
form 
clear liquid
pka
15.17±0.10(Predicted)
color 
Colorless to Almost colorless
Water Solubility 
Slightly soluble in water.
BRN 
1731466
InChIKey
DUXCSEISVMREAX-UHFFFAOYSA-N
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)
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Safety Information

Risk Statements 
10
Safety Statements 
23-24/25-23/24/25
RIDADR 
UN 1987 3/PG 3
WGK Germany 
3
TSCA 
Yes
HazardClass 
3.2
PackingGroup 
III
HS Code 
29051990

MSDS

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3,3-DIMETHYL-1-BUTANOL Usage And Synthesis

Chemical Properties

colorless liqui

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.

General Description

3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied.

in vivo

3,3-Dimethyl-1-butanol (1% DMB soluble in water; p.o.; 6 weeks) significantly reduces the cardiac hypertrophy and fibrosis in heart failure (HF) mice[1].
3,3-Dimethyl-1-butanol (0.2% and 1.0% DMB soluble in water; p.o.; 21 d) increases the serum TMAO level with dose-dependent manner in ICR mice. 3,3-Dimethyl-1-butanol has been proved that the interaction between the gut and the brain has a regulatory effect on social behavior[2].
3,3-Dimethyl-1-butanol (1.0% DMB soluble in water; p.o.; gestation period and suckling period) prevents the 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) induced hypertension in offspring of pregnant Sprague-Dawley rats[3].

Animal Model:C57BL6/J male mice (8-10 weeks old) with heart failure[1].
Dosage:1% DMB soluble in water.
Administration:Oral gavage; 6 weeks.
Result:Reduced the plasma trimethylamine N-oxide (TMAO) levels, the cross-sectional area of LV cardiomyocytes, and the area of LV interstitial fibrosis.
Decreased the expression of ANP, BNP, β-MHC, collagen Iα, collagen III and CTGF.
Inhibited TNF-α, IL-6, IL-1β, p65, TGF-β and Smad3 expression.
Animal Model:Male and female ICR mice (8-weeks old)[2].
Dosage:0.2% and 1.0% DMB soluble in water.
Administration:Oral gavage; 21 d.
Result:Showed insignificantly effect on body weight, water intake, food intake, sexual preference, anxiety, depression and memory formation.
Weakened the social dominance of mice.
Animal Model:Pregnant Sprague-Dawley rats[3].
Dosage:1.0% DMB soluble in water.
Administration:Oral gavage; gestation period and suckling period.
Result:Increased kidney weight, plasma trimethylamine (TMA) level and acetic acid, reduced diastolic.
Had significantly effect on gut microbiota composition.

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