Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

167533

Sigma-Aldrich

Methyl 4-tert-butylbenzoate

99%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
(CH3)3CC6H4CO2CH3
CAS Number:
26537-19-9
Molecular Weight:
192.25
EC Number:
247-768-5
MDL number:
MFCD00008835
UNSPSC Code:
12352100
PubChem Substance ID:
24850215
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.51 (lit.)

bp

122-124 °C/9 mmHg (lit.)

density

0.995 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

COC(=O)c1ccc(cc1)C(C)(C)C

InChI

1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3

InChI key

UPIJOAFHOIWPLT-UHFFFAOYSA-N

General description

Methyl 4-tert-butylbenzoate undergoes Claisen condensation reaction with 4-methoxyacetophenone to give avobenzone, an ingredient of sunscreen products[1].

Application

Methyl 4-tert-butylbenzoate was used in the synthesis of tris(4-tert-butylphenyl)methyl chloride[2].

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

270.5 °F

Flash Point(C)

132.5 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBC7006V
S15547V
S15547
08005BB
05109KK

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

Slide 1 of 2

1 of 2

Octinoxate Pharmaceutical Secondary Standard; Certified Reference Material

Supelco

PHR1080

Octinoxate

4′-Methoxyacetophenone 99%

Sigma-Aldrich

117374

4′-Methoxyacetophenone

The tris (4- tert-butylphenyl) methyl group: a bulky substituant for effective regioselective difunctionalisation of cyclomaltohexaose.
Armspach D and Matt D.
Carbohydrate Research, 310(1), 129-133 (1998)
Guoqing Zhang et al.
Journal of the American Chemical Society, 132(7), 2160-2162 (2010-01-30)
Difluoroboron avobenzone (BF(2)AVB), a simple boron complex of a commercial sunscreen product, exhibits morphology-dependent emission and mechanochromic luminescence in the solid state. When scratched, smeared, or even gently touched, the emission color of BF(2)AVB films is significantly red-shifted under UV

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service