| Identification | More | [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 Properties | Back 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 | [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]
624-95-3(EPA Substance) |
| Safety Data | Back 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 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back 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. | [Synthesis]
3,3-Dimethyl-1-butyrate can be obtained by first preparing 3,3-dimethylbutyl sulfate from tert-butanol and ethylene, and then reacting it with sodium hydroxide. | [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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