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Estragole

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Identification
Molecular formula
C10H12O3
CAS number
140-67-0
IUPAC name
5-allyl-1,2,3-trimethoxy-benzene
State
State

At room temperature, estragole is in a liquid state.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
216.50
Boiling point (Kelvin)
489.65
General information
Molecular weight
164.20g/mol
Molar mass
164.2040g/mol
Density
0.9704g/cm3
Appearence

Estragole is a clear, colorless to pale yellow liquid with an aromatic, sweet, anise-like odor.

Comment on solubility

Solubility of 5-Allyl-1,2,3-trimethoxy-benzene

The solubility of 5-allyl-1,2,3-trimethoxy-benzene, often referred to as a substituted benzene compound, is influenced by its chemical structure. Substituents on the benzene ring can significantly affect how the molecule interacts with solvents. Here are some key points to consider:

  • Polarity: The presence of methoxy groups (-OCH3) makes the compound more polar than its unsubstituted counterparts. This generally enhances solubility in polar solvents.
  • Solvent Interaction: Because of its methoxy groups, this compound is expected to have good solubility in polar organic solvents like ethanol and methanol, while its solubility in non-polar solvents may be less favorable.
  • Structural Factors: The allyl group might contribute to steric hindrance, which could affect how easily the compound dissolves in various solvents.
  • Temperature Dependency: Solubility can also vary with temperature, and therefore, testing at different temperatures might yield interesting insights.

In summary, while 5-allyl-1,2,3-trimethoxy-benzene is likely soluble in polar solvents due to its functional groups, its overall solubility characteristics warrant experimental evaluation to confirm theoretical predictions.

Interesting facts

Interesting Facts about 5-Allyl-1,2,3-trimethoxy-benzene

5-Allyl-1,2,3-trimethoxy-benzene, also known as anethole, is not just syntactic chemistry; it has fascinating implications in numerous fields! Below are some captivating attributes:

  • Natural Occurrence: This compound is primarily derived from the essential oil of anise (Pimpinella anisum) and fennel (Foeniculum vulgare). It infuses the characteristic sweet, aromatic flavor into these plants, making them popular in culinary applications.
  • Aromatic Properties: 5-Allyl-1,2,3-trimethoxy-benzene is used widely in the perfume industry. Its aromatic profile contributes to the warm, spicy notes in various fragrances, enhancing sensory experiences.
  • Medicinal Uses: In traditional medicine, this compound is believed to have anti-inflammatory and antioxidant properties. Research is ongoing to explore its potential health benefits, particularly in herbal remedies.
  • Biochemical Pathways: The compound is noted for its role in certain biosynthetic pathways within plants, specifically in the formation of flavonoids. These pathways are crucial for plant defense mechanisms and contribute to their ecological versatility.
  • Culinary Uses: Beyond its industrial applications, 5-Allyl-1,2,3-trimethoxy-benzene is utilized in culinary traditions, particularly in Mediterranean cuisines, where it enhances the flavor profile of various dishes.

In summary, 5-Allyl-1,2,3-trimethoxy-benzene stands out not only for its chemical structure but also for its remarkable presence in nature and culture. As a chemical scientist or student, understanding such compounds opens the path to inventive applications and a deeper appreciation for the interconnection of chemistry and our daily lives.

Synonyms
Elemicin
487-11-6
5-Allyl-1,2,3-trimethoxybenzene
3,4,5-Trimethoxyallylbenzene
Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-
1,2,3-Trimethoxy-5-(2-propenyl)benzene
CCRIS 6783
BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-
4-allyl-1,2,6-trimethoxybenzene
HSZ191AKAN
EINECS 207-649-0
NSC 16704
BRN 1912664
3,4,5-trimethoxyallyl benzene
AI3-20815
1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene
NSC-16704
DTXSID60197586
4-06-00-07478 (Beilstein Handbook Reference)
1-ALLYL-3,4,5-TRIMETHOXYBENZENE
1-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENE
5-(PROP-2-ENYL)-1,2,3-TRIMETHOXYBENZENE
BENZENE, 1,2,3-TRIMETHOXY-5-(2-PROPEN-1-YL)-
DTXCID20120077
Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-(9CI)
207-649-0
Elemicine
1,2,3-trimethoxy-5-prop-2-enylbenzene
3-(3,4,5-Trimethoxyphenyl)-1-propene
CHEBI:4771
1,2,3-Trimethoxy-5-(2-propenyl)-benzene
Benzene, 5-(2-propenyl)-1,2,3-trimethoxy
1,2,3-Trimethoxy-5-[2-propenyl]-benzene
UNII-HSZ191AKAN
MFCD01656688
5'-metoxy eugenol
5-allyl-1,2,3-trimethoxy-benzene
3,5-Trimethoxyallylbenzene
5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene
SCHEMBL68542
3,4, 5-Trimethoxyallylbenzene
CHEMBL458690
1,2,3-Trimethoxy-5-allylbenzene
HY-N6807
NSC16704
s5120
AKOS015896443
CCG-266643
FE22655
PS-4970
Benzene,2,3-trimethoxy-5-(2-propenyl)-
DB-081347
1,2,3-Trimethoxy-5-allylbenzene (elemicin)
CS-0030665
NS00022224
1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI
Q417746
Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI)
1,2,3-Trimethoxy-5-(2-propen-1-yl)-benzene;5-Allyl-1,2,3-trimethoxybenzene;1-(3,4,5-Trimethoxyphenyl)-2-propene