Skip to Content
Merck
All Photos(2)

Documents

183105

Sigma-Aldrich

3,3-Dimethyl-1-butanol

97%

Synonym(s):

Neohexanol

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
(CH3)3CCH2CH2OH
CAS Number:
624-95-3
Molecular Weight:
102.17
Beilstein:
1731466
EC Number:
210-872-6
MDL number:
MFCD00002928
UNSPSC Code:
12352100
PubChem Substance ID:
24851033
NACRES:
NA.22

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.)

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service