4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one

Basic Information

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CAS Number

54757-47-0

Molecular Formula

C14H18O2

Molecular Weight

218.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

64-66 ºC

Density

1.006±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1=CC(=C(C(=C1C=CC(=O)C)C)C)OC

InChI

InChI=1S/C14H18O2/c1-9-8-14(16-5)12(4)11(3)13(9)7-6-10(2)15/h6-8H,1-5H3

InChIKey

NMRRLIHKRCVLLQ-UHFFFAOYSA-N

LogP

3.222660000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

270

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

AB00076006-01
DTXSID701197726
(E)-4-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-BUT-3-EN-2-ONE
4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
3-Buten-2-one, 4-(4-methoxy-2,3,6-trimethylphenyl)-, (E)-
62924-31-6
MFCD00449197
CS-0160979
AC-8395
(3E)-4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one
54757-47-0
(E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
SCHEMBL10753117
C75570
(E)-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one
AKOS000560110
EINECS 263-760-4
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE
A918191
AS-10567
4-(4-Methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
3-Buten-2-one,4-(4-methoxy-2,3,6-trimethylphenyl)-
4-(2,3,6-trimethyl-4-methoxyphenyl)-3-butene-2-one
4-(4'-methoxy-2',3',6'-trimethylphenyl)-but-3-ene-2-one
4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one
4-(4-Methoxy-2,3,6-trimethyl-phenyl)-but-3-en-2-one
(3E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
3-Buten-2-one,4-(4-methoxy-2,3,6-trimethylphenyl)-, (E)- (9CI)

MDL Number

MFCD00449197

Customs Code

2914509090

FAQ

What regulatory guidelines apply to 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one (CAS: 54757-47-0)?

4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one (CAS: 54757-47-0) falls under various regulatory guidelines, including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Users must ensure compliance with these guidelines to ensure safe handling and disposal.

Are there alternatives to 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one in synthesis?

There are several alternatives to 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one in synthesis, including similar butyl ketones with different substituents. These alternatives can offer similar reactivity but with varying properties, which can be chosen based on the specific application requirements.

What is the market or research trend for 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one?

The market for 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one (CAS: 54757-47-0) is steadily growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on developing more efficient synthesis methods and exploring its use in new products, driven by increasing demand in these sectors.

How should waste containing 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one be handled?

Waste containing 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-buten-2-one (CAS: 54757-47-0) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but users must follow local environmental regulations to ensure safe and compliant disposal. Environmental protection measures should also be implemented to prevent contamination of soil and water sources.