ChemicalBook--->CAS DataBase List--->624-95-3

624-95-3

624-95-3 Structure

624-95-3 Structure
IdentificationMore
[Name]

3,3-DIMETHYL-1-BUTANOL
[CAS]

624-95-3
[Synonyms]

3,3-DIMETHYL-1-BUTANOL
NEOHEXANOL
3,3-dimethyl-1-butano
3,3-dimethyl-butan-1-ol
3,3-dimethylbutan-1-ol
3,3-Dimethylbutylalcohol
Dimethylbutanol
3,3-Dimethylbutanol
3,3-Dimethylbutane-1-ol
[EINECS(EC#)]

210-872-6
[Molecular Formula]

C6H14O
[MDL Number]

MFCD00002928
[Molecular Weight]

102.17
[MOL File]

624-95-3.mol
Chemical PropertiesBack Directory
[Appearance]

colorless liqui
[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.)
[Fp ]

118 °F
[storage temp. ]

Sealed in dry,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]

624-95-3(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29051990
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-DIMETHYL-1-BUTANOL(624-95-3)1HNMR
3,3-DIMETHYL-1-BUTANOL(624-95-3)IR1
3,3-DIMETHYL-1-BUTANOL(624-95-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

624-95-3(sigmaaldrich)
[TCI AMERICA]

3,3-Dimethyl-1-butanol,>95.0%(GC)(624-95-3)
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