4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE Chemical Properties

Melting point:

6.5 °C

Boiling point:

227-228 °C(lit.)

Density 

0.975 g/mL at 20 °C(lit.)

refractive index 

n20/D 1.496(lit.)

FEMA 

4216 | VERBENONE

Flash point:

85 °C

storage temp. 

2-8°C

Odor

at 100.00 %. camphor menthol celery

Odor Type

camphoreous

JECFA Number

1870

LogP

1.97

CAS DataBase Reference

80-57-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-43

Safety Statements 

36/37

WGK Germany 

3

F 

10

4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE Usage And Synthesis

Chemical Properties

Colorless liquid; minty, spicy aroma.

Occurrence

Reported found in Artemisia diffusa Krasch. ex poljak oil, Iran (13.0%); rosemary oil, Egypt (12.33%); rosemary oil corsica (10.7%); rosemary oil co2 extract (8.36%); rosemary oil, spain (6.3%); wormwood oil, cuba (2.47%); hinoki root oil (2.44%), rosemary oil, France (1.03–5.08%), etc.

Definition

ChEBI: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one is a carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4. It is a carbobicyclic compound, a cyclic ketone and an enone.

Aroma threshold values

Medium strength odor, camphoreous type.

4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE(80-57-9)Related Product Information

• (-)-VERBENONE
• (1R)-(+)-VERBENONE
• VERBENONE, (-)-(SECONDARY STANDARD)
• VERBENONE
• 2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-one,4,7,7-trimethylbicyclo[3.1.1]hept-3-en-6-one
• VERBENONE, (-)-(SG)