β-Lonone Chemical Properties

Melting point:

-49°C

Boiling point:

126-128 °C12 mm Hg(lit.)

Density 

0.945 g/mL at 25 °C(lit.)

vapor pressure 

<1 hPa (25 °C)

FEMA 

2595 | BETA-IONONE

refractive index 

n20/D 1.52(lit.)

Flash point:

230 °F

storage temp. 

Store below +30°C.

solubility 

0.11g/l insoluble

form 

Oil

color 

Clear Colorless to Light Yellow

Odor

at 10.00 % in dipropylene glycol. dry powdery floral woody orris berry seedy

Odor Type

floral

Water Solubility 

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

JECFA Number

389

Merck 

14,5056

BRN 

1909544

Dielectric constant

12.0（20℃）

Stability:

Light Sensitive

InChIKey

PSQYTAPXSHCGMF-BQYQJAHWSA-N

LogP

4 at 25℃

CAS DataBase Reference

79-77-6(CAS DataBase Reference)

NIST Chemistry Reference

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-(79-77-6)

EPA Substance Registry System

.beta.-Ionone (79-77-6)

Safety Information

Hazard Codes 

Xi,N

Risk Statements 

38-51/53-36

Safety Statements 

61-36/37-26

RIDADR 

UN 3082 9/PG 3

WGK Germany 

2

RTECS 

EN0500000

TSCA 

Yes

HS Code 

2914 23 00

Toxicity

LD50 orally in Rabbit: 2920 mg/kg

MSDS

• Language:English Provider:(3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

β-Lonone Usage And Synthesis

Chemical Properties

Clear Colorless to Pale Yellow Oil

Uses

It is an important fragrance chemical used in perfumery. The combination of α-ionone and β-ionone is characteristic of the scent of violets and used with other components in flavoring to recreate their scent.

Uses

An aroma compound commonly found in essential oils such as rose oil. β-Lonone is an important fragrance chemical used in perfumery. β-Ionone is effective in the chemoprevention of rat mammary carcinogenesis.

Definition

ChEBI: An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4.

Synthesis Reference(s)

Synthetic Communications, 17, p. 85, 1987 DOI: 10.1080/00397918708063906
Tetrahedron Letters, 30, p. 645, 1989 DOI: 10.1016/S0040-4039(01)80271-9

Flammability and Explosibility

Non flammable

Purification Methods

Convert β-ionone to the semicarbazone (m 149o) by adding 50g of semicarbazide hydrochloride and 44g of potassium acetate in 150mL of water to a solution of 85g of β-ionone in EtOH.

β-Lonone(79-77-6)Related Product Information

• Cyclohexene
• METHYL IONONE GAMMA
• Ionone
• ALPHA-ISO-METHYLIONONE
• PSEUDOIONONE
• Irisone
• 2-Cyclohexen-1-one
• 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
• Trimethyl borate
• Salicylic acid
• Methyl vinyl ketone
• PIPERONYL METHYL KETONE
• (E)-1-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-1-one
• β-Lonone
• (Z)-4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
• 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one semicarbazone
• 3-Butyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
• 4-(1-Hydroxy-2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one