183105
3,3-Dimethyl-1-butanol
97%
Synonym(s):
Neohexanol
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About This Item
Linear Formula:
(CH3)3CCH2CH2OH
CAS Number:
Molecular Weight:
102.17
Beilstein:
1731466
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
form
liquid
refractive index
n20/D 1.414 (lit.)
bp
143 °C (lit.)
mp
−60 °C (lit.)
density
0.844 g/mL at 25 °C (lit.)
functional group
hydroxyl
SMILES string
CC(C)(C)CCO
InChI
1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
InChI key
DUXCSEISVMREAX-UHFFFAOYSA-N
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General description
3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied.
Application
3,3-Dimethyl-1-butanol is a branched alkanol, which can be used:
- As a ligand in the preparation of nickel based single-molecule magnets.
- In the synthesis of lipophilic alkyl parabens as antifungal agents.
- As a precursor to synthesize hydrocarbon surfactants.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
116.6 °F - closed cup
Flash Point(C)
47 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Fast magnetization tunneling in tetranickel (II) single-molecule magnets.
Yang E-C, et al.
Inorganic Chemistry, 45(2), 529-546 (2006)
Thermal and relaxational properties of glass-forming material, 3, 3-dimethyl-1-butanol.
The Journal of Chemical Thermodynamics, 36(10), 877-888 (2004)
P Barlow et al.
Biochemical pharmacology, 34(17), 3117-3122 (1985-09-01)
3,3-Dimethylbutanol (Dimbunol), a competitive inhibitor of choline dehydrogenase (CDH), and ethylcholine mustard aziridinium (ECMA), an effective irreversible inhibitor of both CDH and choline transport, were investigated for their effects upon the uptake and metabolism of [3H]choline in mice. Thirty minutes
Single-molecule magnets: high-field electron paramagnetic resonance evaluation of the single-ion zero-field interaction in a ZnII3NiII complex.
Yang E-C, et al.
Inorganic Chemistry, 44(11), 3827-3836 (2005)
R M Krupka et al.
The Journal of biological chemistry, 255(18), 8546-8549 (1980-09-25)
Half-saturation constants have been determined for the choline carrier with cationic substrates and their uncharged carbon analogs: (a) choline and 3,3-dimethyl-1-butanol and (b) 2-dimethylaminoethanol and isoamyl alcohol. The constants are 6.3 microM and 16 mM for the first pair, and
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