4-Formyl-2-methoxyphenyl 2-methylpropanoate

Basic Information

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CAS Number

20665-85-4

Molecular Formula

C12H14O4

Molecular Weight

222.24 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

27.0 to 31.0 deg-C

Refractive Index

n20/D 1.524(lit.)

SMILES

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COc1cc(C=O)ccc1OC(=O)C(C)C

InChI

InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3

InChIKey

BGKAKRUFBSTALK-UHFFFAOYSA-N

LogP

2.0690999999999997

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

249

Synonyms & References

English

Vanillin isobutyrate
4-Formyl-2-methoxyphenyl isobutyrate
4-Isobutyroyloxy-3-methoxybenzaldehyde
4-ISOBUTYRATE-3-METHOXYBENZALDEHYDE
FEMA 3754
ISOBUTAVAN
ISOBUTYL LIGNATE
ISO-JASMONE PURE
VANILLIN ISOBUTYRATE,NATURAL
Vanillin-isobutyrat
Fennel essential oil
Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
4-Formyl-2-methoxyphenyl 2-methylpropanoate
C55654RCNR
FEMA No. 3754
3-Methoxy-4-isobutyrylbenzaldehyde
4-Hydroxy-m-anisaldehyde isobutyrate
Isobutyric acid, ester with vanillin
PubChem19622
4-Hydroxy-3-methoxybenzaldehyde isobutyrate
4-Hydroxy-m-anisaldehyde 2-methylpropionate
DSSTox_RID_82196
DSSTox_CID_2720

MDL Number

MFCD00169858

Customs Code

2915900090

FAQ

What is 4-Formyl-2-methoxyphenyl 2-methylpropanoate (CAS: 20665-85-4)?

4-Formyl-2-methoxyphenyl 2-methylpropanoate is an organic compound with the CAS number 20665-85-4. It is characterized by its chemical formula C14H16O4 and belongs to the class of organic compounds known as ethyl esters. This compound has a distinctive formyl group and methoxy group attached to a phenyl ring, along with a methyl group on a propanoate chain.

What are the main uses of 4-Formyl-2-methoxyphenyl 2-methylpropanoate (CAS: 20665-85-4)?

4-Formyl-2-methoxyphenyl 2-methylpropanoate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the fine chemical and research sectors, where it serves as a starting material or reagent.

Is 4-Formyl-2-methoxyphenyl 2-methylpropanoate (CAS: 20665-85-4) safe?

4-Formyl-2-methoxyphenyl 2-methylpropanoate is generally considered safe under controlled conditions, but it requires appropriate handling. It is important to follow standard safety protocols, including the use of personal protective equipment, to minimize exposure risks. Storage and disposal should also be conducted in compliance with safety guidelines to prevent environmental contamination.

How should 4-Formyl-2-methoxyphenyl 2-methylpropanoate (CAS: 20665-85-4) be stored?

4-Formyl-2-methoxyphenyl 2-methylpropanoate should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation. Ideal storage conditions include a temperature range of 10-25°C and a humidity level below 60%. Proper ventilation is also essential to ensure a safe storage environment.