1-allyl-4-methoxy-benzene;1-methoxy-4-[(E)-prop-1-enyl]benzene;1,3,3-trimethylnorbornan-2-one

Basic Information

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CAS Number

8006-84-6

Molecular Formula

C30H40O3

Molecular Weight

448.65 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

5 °C

Boiling Point

227 °C

Density

0.963 g/mL at 25 °C

Refractive Index

n20/D 1.538(lit.)

Specific Rotation

aD25 +12 to +24°

SMILES

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CC=CC1=CC=C(C=C1)OC.CC1(C2CCC(C2)(C1=O)C)C.COC1=CC=C(C=C1)CC=C

InChI

InChI=1S/C10H16O.2C10H12O/c1-9(2)7-4-5-10(3,6-7)8(9)11;2*1-3-4-9-5-7-10(11-2)8-6-9/h7H,4-6H2,1-3H3;3-8H,1-2H3;3,5-8H,1,4H2,2H3/b;4-3+;

InChIKey

OBHSPPLZGYJDIK-ITDJAWRYSA-N

LogP

7.553700000000009

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

450

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

1-methoxy-4-[(E)-prop-1-enyl]benzene;1-methoxy-4-prop-2-enylbenzene;1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
8006-84-6
FennelOil
Fennel oil
GALANGAL ROOT OIL
Bitter fenchel
Bitter fenchel [German]
Bitter fennel oil
FEMA No. 2483
Fenchel oel
Fenchel oel [German]
Fennel oil, bitter
Fennel oil, bitter (Foeniculum vulgare miller)
Fennel oil, sweet
Fennel oil, sweet (Foeniculum vulgare MilL. var. dulce D.C.)
Fenouil amer
Fenouil amer [French]
Fenouil doux
Fenouil doux [French]
Finocchio
Finocchio amaro
Finocchio amaro [Italian]
Finocchio dol
Foeniculum vulgare oil
Oil of fennel
Foeniculum vulgare Mill.
Foeniculum Vulcare Mill.
finocchio amaro (italian)
Fennel Seed Extract
bitter fenchel
fenchel oel

MDL Number

MFCD00146918

FAQ

What is 1-allyl-4-methoxy-benzene (CAS: 8006-84-6)?

1-allyl-4-methoxy-benzene, also known as 1-methoxy-4-[(E)-prop-1-enyl]benzene, is a chemical compound with the CAS number 8006-84-6. It has the chemical formula C10H12O. This compound is characterized by its aromatic structure with a methoxy group and an allyl substituent.

What are the main uses of 1-allyl-4-methoxy-benzene (CAS: 8006-84-6)?

1-allyl-4-methoxy-benzene is primarily used in the pharmaceutical and chemical industries as a precursor for the synthesis of other compounds. It is also utilized in the production of fragrances and as a solvent in some laboratory applications.

Is 1-allyl-4-methoxy-benzene (CAS: 8006-84-6) safe?

1-allyl-4-methoxy-benzene is generally considered safe under normal handling conditions, but it should be handled with care. It is not highly toxic, but prolonged exposure or inhalation may cause irritation. Protective measures include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Adequate ventilation should be maintained during handling.

How should 1-allyl-4-methoxy-benzene (CAS: 8006-84-6) be stored?

1-allyl-4-methoxy-benzene should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and moisture absorption. Storage temperature should not exceed 25°C. Avoid contact with incompatible materials such as oxidizers and strong acids.