Methyl [4-(2-methyl-2-propanyl)phenyl]acetate

Basic Information

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CAS Number

3549-23-3

Molecular Formula

C13H18O2

Molecular Weight

206.28 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

106 ºC (2 mmHg)

Flash Point

>110 ºC

Refractive Index

1.498-1.504

SMILES

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CC(C)(C)c1ccc(cc1)CC(=O)OC

InChI

InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3

InChIKey

HXVTYMWVMVKVTF-UHFFFAOYSA-N

LogP

2.699600000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

207

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

Methyl 2-(4-(tert-butyl)phenyl)acetate
Methyl p-tert-butylphenylacetate
Methyl-p-Tert-Butgl Phenyl Acetate
4-tert-Butylphenylacetic acid methyl ester
Methyl 4-tert-Butylphenylacetate
2-(4-tert-butoxyphenyl)acetic acid methyl ester
Einecs 222-602-4
FEMA 2690
Fema no. 2690
METHYL 4-TERT-BUTYLBENZENEACETATE
METHYLPARA-TERT-BUTYLPHENYLACETATE
p-tert-butyl-phenylacetic acid methyl ester
Aceticacid, (p-tert-butylphenyl)-, methyl ester (7CI,8CI)
(4-tert-Butylphenyl)aceticacid methyl ester
Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester
methyl 2-(4-tert-butylphenyl)acetate
8A4H5QO9OJ
Methyl 4-(1,1-dimethylethyl)benzeneacetate
HXVTYMWVMVKVTF-UHFFFAOYSA-N
Acetic acid, (p-tert-butylphenyl)-, methyl ester
methyl 2-[4-(tert-butyl)phenyl]acetate
methyl butyl phenyl

MDL Number

MFCD00051913

Customs Code

2916399090

FAQ

What is Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3)?

Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) is a chemical compound with a unique structure. It is a colorless to light yellow liquid with a distinctive aroma. The compound has a molecular formula of C12H18O2 and is used in various applications due to its pleasant scent and volatility.

What are the main uses of Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3)?

Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) is commonly used in the fragrance and flavor industry for its aromatic properties. It is also utilized in the pharmaceutical industry as a precursor for other chemicals and in research as a solvent and reagent.

Is Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) safe?

Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) is generally considered safe for its intended uses, but it is important to follow safety guidelines. Users should avoid inhalation, contact with eyes and skin, and ingestion. Protective measures include wearing appropriate personal protective equipment and ensuring proper ventilation.

How should Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) be stored?

Methyl [4-(2-methyl-2-propanyl)phenyl]acetate (CAS: 3549-23-3) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid storing it near strong acids or bases to prevent chemical reactions.