2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate

Basic Information

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CAS Number

83071-67-4

Molecular Formula

C12H12O4

Molecular Weight

220.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Melting Point

97-100 °C

Density

1.162±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(=O)Oc1ccc(cc1OC)/C=C/C=O

InChI

InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

InChIKey

VEKAJHBFBMWJKI-ONEGZZNKSA-N

LogP

1.8326

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

272

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

2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-, (2E)-
[2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate
TRANS-4-ACETOXY-3-METHOXYCINNAMALDEHYDE
3-methoxy-4-acetoxycinnamaldehyde
4-ACETOXY-3-METHOXYCINNAMALDEHYDE
4-Acetoxy-3-MethoxycinnaMaldehyde, predoMinantly trans
4-acetoxy-3-methoxy-trans-cinnamaldehyde
4-Acetoxy-3-methoxy-trans-zimtaldehyd
(E)-3-Methoxy-4-acetoxycinnamal

MDL Number

MFCD00239339

FAQ

What is 2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate (CAS: 83071-67-4)?

2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate is a colorless to light yellow liquid with a fruity odor. It is used as a fragrance compound in the cosmetic and perfume industries. The chemical formula is C13H18O3.

What are the main uses of 2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate (CAS: 83071-67-4)?

This compound is primarily used as a fragrance ingredient in the cosmetic and perfume industries. It is also used as a flavoring agent in food and as a solubilizer in various applications.

Is 2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate (CAS: 83071-67-4) safe?

2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate is considered safe for use in fragrances and cosmetics when used in accordance with regulatory guidelines. It is important to follow proper handling and safety precautions, including avoiding contact with eyes and skin, and ensuring proper ventilation.

How should 2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl acetate (CAS: 83071-67-4) be stored?

This compound should be stored in a cool, dry, and well-ventilated area. It should be kept away from sources of ignition and heat. The container should be tightly sealed to prevent leakage and contamination. Avoid exposure to light and moisture. Store it in a manner that prevents spills and ensure it is out of reach of children and pets.