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

4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE Structure
CAS No.
80-57-9
Chemical Name:
4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE
Synonyms
FEMA 4216;Berbenone;VERBENONE;2-PINEN-4-ONE;Pina-2-ene-4-one;4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE;4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-on;2,6,6-Trimethylbicyclo[3.1.1]hepta-2-ene-4-one;2-Pinen-4-one, 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
CBNumber:
CB9252484
Molecular Formula:
C10H14O
Molecular Weight:
150.22
MOL File:
80-57-9.mol
MSDS File:
SDS
Modify Date:
2023/5/25 18:01:22

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

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H317
Precautionary statements  P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard Codes  Xn
Risk Statements  22-43
Safety Statements  36/37
WGK Germany  3
10
NFPA 704
2
2 0

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

Aroma threshold values

Medium strength odor, camphoreous type.

VERBENONE 4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-on Berbenone 2-PINEN-4-ONE 4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE 2-Pinen-4-one, 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one 2,6,6-Trimethylbicyclo[3.1.1]hepta-2-ene-4-one Pina-2-ene-4-one FEMA 4216 80-57-9 Ketones Organic Building Blocks Asymmetric Synthesis Chiral Building Blocks Terpenes Bicyclic Monoterpenes