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

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

Hazard Codes 

Xn

Risk Statements 

22-43

Safety Statements 

36/37

WGK Germany 

3

F 

10

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H317May cause an allergic skin reaction

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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

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.