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183105

3,3-Dimethyl-1-butanol

Name: 3,3-Dimethyl-1-butanol
Brand: ALDRICH

97%

Synonym(s):

Neohexanol

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About This Item

Linear Formula:

(CH₃)₃CCH₂CH₂OH

CAS Number:

624-95-3

Molecular Weight:

102.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851033

EC Number:

210-872-6

Beilstein/REAXYS Number:

1731466

MDL number:

MFCD00002928

Assay:

97%

Form:

liquid

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Properties

Quality Segment

100

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

Description

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

GHS02

Signal Word

Warning

Hazard Codes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

116.6 °F - closed cup

Flash Point (°C)

47 °C - closed cup

PPE (personal protective equipment)

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

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