Methyl 4-(2-methoxy-2-oxoethyl)benzoate

Basic Information

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CAS Number

52787-14-1

Molecular Formula

C11H12O4

Molecular Weight

208.21 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

122°C/0.6mmHg

Density

1.155

Flash Point

145.419°C

Refractive Index

1.513

SMILES

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

InChI

InChI=1S/C11H12O4/c1-14-10(12)7-8-3-5-9(6-4-8)11(13)15-2/h3-6H,7H2,1-2H3

InChIKey

QAQYBHOZQQRJBA-UHFFFAOYSA-N

LogP

1.1887

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

229

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-METHOXYCARBONYLMETHYL-BENZOICACIDMETHYLESTER
52787-14-1
BCP27355
4-(2-Methoxy-2-oxoethyl)benzoic Acid Methyl Ester
J-650220
MB04758
Methyl 4-(Methoxycarbonyl)phenylacetate
SCHEMBL1198228
QAQYBHOZQQRJBA-UHFFFAOYSA-N
4-METHOXYCARBONYLMETHYL-BENZOIC ACID METHYL ESTER
4-Methoxycarbonylphenylacetic Acid Methyl Ester
homoterephthalic acid dimethyl ester
DTXSID50441409
Benzeneacetic acid, 4-(methoxycarbonyl)-, methyl ester
4-(Methoxycarbonyl)benzeneacetic acid methyl ester
Methyl 4-Methoxycarbonylphenylacetate
MFCD07779210
DIMETHYL HOMOTEREPHTHALATE
Methy 4-(Methoxycarbonylmethyl)benzoate
AKOS015890025
4-Methoxycarbonylmethylbenzoic acid methyl ester
SY020974
A15623
Dimethyl p-(carboxymethyl)benzoate
methyl 4-(2-methoxy-2-oxoethyl)benzoate
AS-18399
CS-M1409
Methyl 4-(2-methoxy-2-oxo-ethyl)benzoate
D5266
methyl4-(2-methoxy-2-oxoethyl)benzoate
FT-0650620

MDL Number

MFCD07779210

Customs Code

2916399090

FAQ

What is Methyl 4-(2-methoxy-2-oxoethyl)benzoate (CAS: 52787-14-1)?

Methyl 4-(2-methoxy-2-oxoethyl)benzoate is a chemical compound with the CAS number 52787-14-1. It is a benzoate ester and its structural formula can be described as C13H14O4. This compound has a sweet, aromatic odor and is used in various applications due to its chemical properties.

What are the main uses of Methyl 4-(2-methoxy-2-oxoethyl)benzoate (CAS: 52787-14-1)?

Methyl 4-(2-methoxy-2-oxoethyl)benzoate is widely used in the food and pharmaceutical industries. It acts as a flavoring agent and is also used as a preservative. Additionally, it is utilized in research for its chemical properties and in the synthesis of other compounds.

Is Methyl 4-(2-methoxy-2-oxoethyl)benzoate (CAS: 52787-14-1) safe?

Methyl 4-(2-methoxy-2-oxoethyl)benzoate is considered safe for use in food and pharmaceutical applications when handled according to safety guidelines. However, it is important to follow safety precautions such as wearing appropriate protective equipment and avoiding inhalation or contact with skin and eyes. Storage in a cool, dry place is recommended to maintain its stability.

How should Methyl 4-(2-methoxy-2-oxoethyl)benzoate (CAS: 52787-14-1) be stored?

Methyl 4-(2-methoxy-2-oxoethyl)benzoate 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 moisture and air contamination. Proper labeling and storage in a well-ventilated area is essential for safety and efficacy.