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191639

2,4,6-Trimethylbenzyl alcohol

99%

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About This Item

Linear Formula:
(CH3)3C6H2CH2OH
CAS Number:
4170-90-5
Molecular Weight:
150.22
NACRES:
NA.22
PubChem Substance ID:
24851499
UNSPSC Code:
12352100
EC Number:
224-032-1
MDL number:
MFCD00014422
Assay:
99%
Form:
solid
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assay

99%

form

solid

bp

140 °C/15 mmHg (lit.)

mp

87-89 °C (lit.)

functional group

hydroxyl

SMILES string

Cc1cc(C)c(CO)c(C)c1

InChI

1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3

InChI key

LODDFDHPSIYCTK-UHFFFAOYSA-N

General description

2,4,6-Trimethylbenzyl alcohol undergoes oxidation in the presence of molecular iodine and potassium carbonate in 2,2,2-trifluoroethanol.

Application

2,4,6-Trimethylbenzyl alcohol was used in the synthesis of 3-(2,4,6-trimethylbenzyl)indole.

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ6828
STBD7766V
STBD2788V
STBD2210V
S24846V

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H G Shertzer et al.
Archives of toxicology, 70(12), 830-834 (1996-01-01)
Many dietary constituents, such as indole-3-carbinol, are chemoprotective in toxicity and carcinogenicity bioassays. Indole-3-carbinol and related congeners appear to protect partly via radical and electrophile scavenging. To develop better chemoprotective indoles with lower intrinsic toxicity, we performed molecular graphic and
Facile oxidative conversion of alcohols to esters using molecular iodine.
Mori N and Togo H.
Tetrahedron, 61(24), 5915-5925 (2005)

Global Trade Item Number

SKUGTIN
191639-5G04061832279251