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ChemicalBook--->CAS DataBase List--->80-57-9

80-57-9

80-57-9 Structure

80-57-9 Structure
IdentificationMore
[Name]

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

80-57-9
[Synonyms]

2-PINEN-4-ONE
4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE
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
2,6,6-Trimethylbicyclo[3.1.1]hepta-2-ene-4-one
Pina-2-ene-4-one
[EINECS(EC#)]

201-292-4
[Molecular Formula]

C10H14O
[MDL Number]

MFCD00001343
[Molecular Weight]

150.22
[MOL File]

80-57-9.mol
Chemical PropertiesBack Directory
[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
[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 DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[F ]

10
Hazard InformationBack Directory
[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.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

80-57-9(sigmaaldrich)
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