Methyl 4-oxo-1-phenylcyclohexanecarboxylate

Basic Information

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CAS Number

75945-90-3

Molecular Formula

C14H16O3

Molecular Weight

232.28 g/mol

Basic Physical Properties

Boiling Point

348.336 °C at 760 mmHg

Density

1.143

Flash Point

348.336 °C at 760 mmHg

Refractive Index

1.533

SMILES

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COC(=O)C1(CCC(=O)CC1)C2=CC=CC=C2

InChI

InChI=1S/C14H16O3/c1-17-13(16)14(9-7-12(15)8-10-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3

InChIKey

GGXCTCTZXOECJP-UHFFFAOYSA-N

LogP

2.2405

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

293

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

Synonyms & References

English

AMY11080
Methyl4-oxo-1-phenylcyclohexane-1-carboxylate
SCHEMBL5765569
75945-90-3
A9639
AC-9321
AS-37959
4-Oxo-1-phenyl-cyclohexanecarboxylic acid methyl ester
4-Methoxycarbonyl-4-phenylcyclohexanone
MFCD09834757
FT-0646527
methyl 4-oxo-1-phenylcyclohexane-1-carboxylate
DTXSID80444766
GGXCTCTZXOECJP-UHFFFAOYSA-N
AKOS015899502
CS-0172493
Methyl 4-oxo-1-phenylcyclohexanecarboxylate
C14H16O3
METHYL 4-OXO-1-PHENYLCYCLOHEXANECARBOXYLATE
4-Oxo-1-phenyl-cyclohexancarbonsaeuremethylester
4-oxo-1-phenyl-cyclohexanecarboxylic acid methyl ester

MDL Number

MFCD09834757

Customs Code

2914509090

FAQ

What regulatory guidelines apply to Methyl 4-oxo-1-phenylcyclohexanecarboxylate (CAS: 75945-90-3)?

Methyl 4-oxo-1-phenylcyclohexanecarboxylate (CAS: 75945-90-3) is subject to various regulatory guidelines including GHS classification for hazardous substances, REACH regulations for the European market, and FDA/EPA requirements for safety and environmental impact assessments. Specific criteria include handling, storage, and disposal practices to ensure compliance with these regulations.

Are there alternatives to Methyl 4-oxo-1-phenylcyclohexanecarboxylate in synthesis?

In synthesis, alternatives to Methyl 4-oxo-1-phenylcyclohexanecarboxylate include other carboxylic acids with similar functional groups, such as methyl cinnamate or methyl salicylate. These alternatives can offer similar properties and can be used depending on specific reaction conditions and desired outcomes.

What is the market or research trend for Methyl 4-oxo-1-phenylcyclohexanecarboxylate?

The market for Methyl 4-oxo-1-phenylcyclohexanecarboxylate is growing with increased research in the pharmaceutical and cosmetic industries. Trends include its use as a raw material in drug synthesis and as a fragrance ingredient. Additionally, there is ongoing research exploring its potential in new applications such as polymer synthesis and as a pesticide.

How should waste containing Methyl 4-oxo-1-phenylcyclohexanecarboxylate be handled?

Waste containing Methyl 4-oxo-1-phenylcyclohexanecarboxylate should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration or chemical neutralization methods may be used, depending on local regulations. Environmental protection measures should be taken to prevent contamination of soil and water sources during disposal.