4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

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4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one Basic information
Product Name:4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
Synonyms:VERBENONE;4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-on;2-PINEN-4-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;Berbenone;FEMA 4216
CAS:80-57-9
MF:C10H14O
MW:150.22
EINECS:201-292-4
Product Categories:
Mol File:80-57-9.mol
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one Structure
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.)
FEMA 4216 | VERBENONE
refractive index n20/D 1.496(lit.)
Fp 85 °C
storage temp. 2-8°C
Odorat 100.00 %. camphor menthol celery
AppearanceColorless to light yellow Liquid
Odor Typecamphoreous
JECFA Number1870
LogP1.97
CAS DataBase Reference80-57-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xn
Risk Statements 22-43
Safety Statements 36/37
WGK Germany 3
F 10
MSDS Information
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one Usage And Synthesis
Chemical PropertiesColorless liquid; minty, spicy aroma.
OccurrenceReported 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.
DefinitionChEBI: 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 valuesMedium strength odor, camphoreous type.
Tag:4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one(80-57-9) Related Product Information
Verbenone Verbenone, (-)-(sg) Verbenone, (-)-(secondary standard) (1R)-(+)-Verbenone (-)-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