2-Methyl-2-propanyl 4-methylbenzoate

Basic Information

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CAS Number

13756-42-8

Molecular Formula

C12H16O2

Molecular Weight

192.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

256°C

Flash Point

112.237°C

Refractive Index

1.49

SMILES

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CC1=CC=C(C=C1)C(=O)OC(C)(C)C

InChI

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

InChIKey

GRUSXPIAJWRLRQ-UHFFFAOYSA-N

LogP

2.9503200000000014

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

195

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CHEBI:197062
SCHEMBL318720
AKOS005256828
4-methylbenzoic acid tert-butyl ester
AS-10834
J-007041
tert-butyl 4-methylbenzoate
FT-0652485
tert-Butyl p-methylbenzoate
13756-42-8
GRUSXPIAJWRLRQ-UHFFFAOYSA-N
DTXSID20469690
1,1-dimethylethyl 4-methylbenzoate
Benzoic acid, 4-methyl-, 1,1-dimethylethyl ester
Tert-butyl-4-toluate
A807276
AB6738
t-butyl-p-toluate
tert-butyl p-Toluate
MFCD06795961
4-methyl-benzoic acid tert-butyl ester
tert-butyl4-methylbenzoate
benzoic acid 4-methyl,1,1-dimenthylethyl ester
4-Methyl-Benzoic Acid Tert-Butyl Ester
tert-Butyl 4-methylbenzoate
Methyl tert-butyl
TERT BUTYL P-TOLUATE
t-Butyl-4-methylbenzoate
4-Methyl-benzoic acid tert-butyl este
4-METHYL-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER
Benzoic acid, 4-Methyl-, 1,1-diMethylethyl ester

MDL Number

MFCD06795961

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-methylbenzoate (CAS: 13756-42-8)?

2-Methyl-2-propanyl 4-methylbenzoate (CAS: 13756-42-8) is a crystalline solid with a molecular weight of approximately 210.27 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It has a melting point of around 55-57°C and a boiling point of about 245-247°C.

How is 2-Methyl-2-propanyl 4-methylbenzoate (CAS: 13756-42-8) typically synthesized?

2-Methyl-2-propanyl 4-methylbenzoate can be synthesized by esterification of 4-methylbenzoic acid with 2-methyl-2-propanol. Commonly, this is achieved using sulfuric acid as a catalyst in an esterification reaction. The process requires careful control of temperature and reaction time to achieve high yield and selectivity.

What industries use 2-Methyl-2-propanyl 4-methylbenzoate (CAS: 13756-42-8)?

2-Methyl-2-propanyl 4-methylbenzoate (CAS: 13756-42-8) is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It also finds applications in the polymer industry for certain monomer formulations. Additionally, it can be used in the production of some fragrance and flavor compounds, as well as in analytical chemistry for specific reagent applications.

What precautions should be taken when handling 2-Methyl-2-proanyl 4-methylbenzoate (CAS: 13756-42-8)?

When handling 2-Methyl-2-proanyl 4-methylbenzoate (CAS: 13756-42-8), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. Handling should be conducted in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials and the material safety data sheet (MSDS) should be consulted for specific disposal procedures.