beta-Ionone, synthetic

Basic Information

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CAS Number

79-77-6

Molecular Formula

C13H20O

Molecular Weight

192.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-49°C

Boiling Point

126-128 ºC (12 mmHg)

Density

0.945

Water Solubility

Soluble in water (0.11 mg/mI at 20°C).

Flash Point

>110 ºC

Solubility

0.11g/l insoluble

Refractive Index

1.52

SMILES

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CC(=O)/C=C/C1=C(C)CCCC1(C)C

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

InChIKey

PSQYTAPXSHCGMF-BQYQJAHWSA-N

LogP

3.6582000000000026

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

292

Synonyms & References

English

beta-ionone
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
β-Ionone
b-Ionone
IONONE,B
OIL
(3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
trans-beta-Ionone
(E)-beta-Ionone
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
.beta.-Ionone
(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
ss-Ionone
beta-E-Ionone
beta-Cyclocitrylideneacetone
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

MDL Number

MFCD00001549

FAQ

What is beta-Ionone, synthetic (CAS: 79-77-6)?

Beta-Ionone, synthetic (CAS: 79-77-6) is a synthetic form of the natural compound beta-ionone, which is a member of the terpene family. It has the chemical formula C14H22O and is commonly used as a fragrance ingredient due to its characteristic violet scent. It is a colorless to pale yellow liquid with a strong, sweet aroma and is soluble in organic solvents.

What are the main uses of beta-Ionone, synthetic (CAS: 79-77-6)?

Beta-Ionone, synthetic (CAS: 79-77-6) is widely used in the fragrance and flavor industry as a key component in perfumes, cosmetics, and food products. It serves as a synthetic alternative to natural beta-ionone and is also utilized in pharmaceuticals for its potential therapeutic properties. Additionally, it is employed in research for studying its chemical behavior and biological effects.

Is beta-Ionone, synthetic (CAS: 79-77-6) safe?

Beta-Ionone, synthetic (CAS: 79-77-6) is generally considered safe when used in appropriate concentrations and under proper handling conditions. However, it should be handled with care, as inhalation or skin contact may cause irritation. Safety standards recommend using protective equipment such as gloves and goggles, and it is advisable to follow guidelines set by regulatory bodies like OSHA and EPA for safe use.

How should beta-Ionone, synthetic (CAS: 79-77-6) be stored?

Beta-Ionone, synthetic (CAS: 79-77-6) should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed, airtight container made of glass or high-density polyethylene to prevent evaporation and contamination. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain stability and prolong shelf life.