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Merck
CN

481874

3-tert-Butyl-2-hydroxybenzaldehyde

96%

Synonym(s):

3-tert-Butylsalicylaldehyde

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About This Item

Linear Formula:
(CH3)3CC6H3(OH)CHO
CAS Number:
Molecular Weight:
178.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
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Quality Segment

assay

96%

refractive index

n20/D 1.544 (lit.)

bp

78-79 °C/1 mmHg (lit.)

density

1.041 g/mL at 25 °C (lit.)

functional group

aldehyde

SMILES string

CC(C)(C)c1cccc(C=O)c1O

InChI

1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-7,13H,1-3H3

InChI key

ROILLNJICXGZQQ-UHFFFAOYSA-N

General description

3-tert-Butyl-2-hydroxybenzaldehyde is a mono-tert-butyl substituted 2-hydroxybenzaldehyde that can be synthesized using ethylbromide and 2-tert-butylphenol.

Application

3-tert-Butyl-2-hydroxybenzaldehyde may be used in the synthesis of:
  • 5-bromo-3-tert-butyl-2-hydroxybenzaldehyde
  • 3-tert-butyl-5-(chloro-methyl)-2- hydroxybenzaldehyde
  • chiral Schiff base-titanium alkoxide catalysts
  • 2 -(3-tert-butyl -2-hydroxybenzyl)aminomethylpyridine


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves



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