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Merck
모든 사진(2)

문서

183105

Sigma-Aldrich

3,3-Dimethyl-1-butanol

97%

동의어(들):

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 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

분석

97%

형태

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.)

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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관련 카테고리

일반 설명

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

애플리케이션

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.

픽토그램

Flame

신호어

Warning

유해 및 위험 성명서

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

개인 보호 장비

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


시험 성적서(COA)

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문서 라이브러리 방문

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
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
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)
Fast magnetization tunneling in tetranickel (II) single-molecule magnets.
Yang E-C, et al.
Inorganic Chemistry, 45(2), 529-546 (2006)
Effects of alkyl parabens on plant pathogenic fungi.
Ito, Shinsaku and Yazawa, Satoru and Nakagawa, Yasutaka and Sasaki, Yasuyuki and Yajima, Shunsuke
Bioorganic & Medicinal Chemistry Letters, 25(8), 1774-1777 (2015)

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