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Sigma-Aldrich

4-tert-Butylbenzyl alcohol

95%

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About This Item

Linear Formula:
(CH3)3CC6H4CH2OH
CAS Number:
877-65-6
Molecular Weight:
164.24
Beilstein:
1860665
EC Number:
212-894-1
MDL number:
MFCD00004662
UNSPSC Code:
12352100
PubChem Substance ID:
24851104
NACRES:
NA.22

Quality Level

100

Assay

95%

form

liquid

refractive index

n20/D 1.517 (lit.)

bp

140 °C/20 mmHg (lit.)

density

0.928 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccc(CO)cc1

InChI

1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChI key

FVEINXLJOJPHLH-UHFFFAOYSA-N

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General description

4-tert-Butylbenzyl alcohol forms inclusion complex with β-cyclodextrin and crystal structure of complex has been studied. Selective oxidation of 4-tert-butylbenzyl alcohol by hypochlorite and phase transfer catalyst has been investigated in a membrane reactor.

Application

4-tert-Butylbenzyl alcohol was used in preparation of novel copolyimides bearing bulky pendent groups by chemical modification of a copolyimide precursor containing carboxylic acid groups.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

262.4 °F - DIN 51758

Flash Point(C)

128 °C - DIN 51758

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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The crystal structure of the inclusion complex of cyclomaltoheptaose (?-cyclodextrin) with 4-tert-butylbenzoic acid.
Rontoyianni A, et al.
Carbohydrate Research, 252, 19-32 (1994)
Chemical modification of copolyimides with bulky pendent groups: effect of modification on solubility and thermal stability.
Maya EM, et al.
Polymer Degradation and Stability, 92(12), 2294-2299 (2007)
The selective oxidation of benzyl alcohols in a membrane reactor.
Grigoropoulou G, et al.
Chemical Communications (Cambridge, England), 6, 547-548 (2001)
Tsunehisa Hirose et al.
Molecules (Basel, Switzerland), 24(13) (2019-07-05)
The retention behavior of a wide variety of stationary phases was compared in supercritical fluid chromatography (SFC) and normal-phase high-performance liquid chromatography (NP-HPLC). We also attempted to elucidate the retention behavior in SFC by investigating the selectivity of the different

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