Isoeugenyl acetate

Basic Information

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CAS Number

93-29-8

Molecular Formula

C12H14O3

Molecular Weight

206.24 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

Physical State

Powder

Melting Point

79-81 °C

Boiling Point

283 °C

Density

1.1492 (rough estimate)

Flash Point

113.9 °C

Solubility

N/A

Refractive Index

1.5080 (estimate)

Vapor Pressure

No data available

SMILES

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

InChI

InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4-

InChIKey

IUSBVFZKQJGVEP-PLNGDYQASA-N

LogP

2.653600000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

235

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Storage Conditions

-20℃

Synonyms & References

English

acetyl isoeugenol
2-Methoxy-4-(1-propenyl)phenyl acetate
isoeugenyl acetate
1-Acetoxy-2-methoxy-4(1-propenyl)benzene
1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE
ISOEUGENYLACETATE(AS)
Isoeugenol acetate
NSC 46121
2-Methoxy-4-prop-1-enylphenyl acetate
Acetylisoeugenol
Acetisoeugenol
Isoeugenol, acetate
(E)-isoeugenyl acetate
2-Methoxy-4-propenylphenyl acetate
4-Acetoxy-3-methoxy-1-propenylbenzene
Phenol, 2-methoxy-4-(1-propenyl)-, acetate
trans-Isoeugenol acetate
PHENOL, 2-METHOXY-4-PROPENYL-, ACETATE
acetylated isoeugenol
FEMA
Isoeugenol, acetate (6CI)
Phenol, 2-methoxy-4-(1-propenyl)-, acetate (9CI)
Phenol, 2-methoxy-4-propenyl-, acetate (7CI, 8CI)
Isoeugenyl acetate
O-Acetylisoeugenol
Acetyl isoeugenol
Acetylisoeugenol,Isoeugenyl acetate,O-Acetylisoeugenol
NSC46121
Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate
HY-N6805
1-(3-methoxy-4-acetoxyphenyl)-1-propene

MDL Number

MFCD00026984

FAQ

What are the physical and chemical properties of isoeugenyl acetate (CAS: 93-29-8)?

Isoeugenyl acetate (CAS: 93-29-8) is a colorless to yellowish liquid with a molecular weight of approximately 210.27 g/mol. It is slightly soluble in water but miscible with most organic solvents. Chemically, it is stable but can react with strong bases. Its specific gravity is around 0.902. It is used in the fragrance industry due to its pleasant aroma.

How is isoeugenyl acetate (CAS: 93-29-8) typically synthesized?

Isoeugenyl acetate (CAS: 93-29-8) is typically synthesized by the esterification of eugenol with acetic anhydride in the presence of a catalyst such as sulfuric acid. The reaction is carried out under reflux conditions, and the product is purified by distillation. The yield is usually around 90%, with high selectivity towards the ester formation.

What industries use isoeugenyl acetate (CAS: 93-29-8)?

Isoeugenyl acetate (CAS: 93-29-8) is primarily used in the fragrance and perfume industry due to its characteristic aroma. It is also utilized in the food industry as a flavoring agent, and in the pharmaceutical sector for its potential as a flavoring and fragrance ingredient.

What precautions should be taken when handling isoeugenyl acetate (CAS: 93-29-8)?

When handling isoeugenyl acetate (CAS: 93-29-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a cool, well-ventilated area away from heat sources and ignition hazards. Fume hoods should be used during manipulations. In case of a spill, it should be cleaned up with absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.