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481874

Sigma-Aldrich

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:
24623-65-2
Molecular Weight:
178.23
MDL number:
MFCD00778877
UNSPSC Code:
12352100
PubChem Substance ID:
24871791
NACRES:
NA.22

Quality Level

100

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN3914
MKBX0671V
MKBS5107V
MKBQ4656V
MKBP3096V

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Enantioselective trimethylsilylcyanation of some aldehydes catalyzed by chiral Schiff base-titanium alkoxide complexes.
Hayashi M, et al.
The Journal of Organic Chemistry, 58(6), 1515-1522 (1993)
Karuthamohamed Dhahagani et al.
Materials science & engineering. C, Materials for biological applications, 90, 119-130 (2018-06-02)
New morpholine derived Schiff base ligands (HL1 and HL2) and their Cu(II) complexes [Cu(L1)2] (1) and [Cu(L2)2] (2) have been synthesized and characterized by 1H NMR, IR, UV-Vis, EPR studies and cyclic voltammetric analyses. Single crystal X-ray crystallography studies confirm
Catalytic Asymmetric Cycloaddition of Carbon Dioxide and Propylene Oxide Using Novel Chiral Polymers of BINOL-Salen-Cobalt (III) Salts.
Yan P and Jing H.
Advanced Synthesis & Catalysis, 351(90, 1325-1332 (2009)
A novel polymeric chiral salen Mn (III) complex as solvent-regulated phase transfer catalyst in the asymmetric epoxidation of styrene.
Tan R, et al.
J. Mol. Catal. A: Chem., 259(1), 125-132 (2006)
New dioxo-molybdenum (vi) and-tungsten (vi) complexes with N-capped tripodal N2O2 tetradentate ligands: Synthesis, structures and catalytic activities towards olefin epoxidation.
Wong YL, et al.
Dalton Transactions, 39(19), 4602-4611 (2010)

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