5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
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5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
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CAS No:
7779-30-8
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Formula:
C14H22O
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Chemical Name:
5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
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Synonyms:
1-Penten-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one;5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one;NSC 163996;1-(2,2,6-Trimethylcyclohex-2-en-1-yl)-1-penten-3-one
- Categories:
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CAS No:
5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one Basic Attributes
206.324
206.32
215-635-0
DTXSID1051642
2914509090
Characteristics
17.07000
4.39
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a clear, colorless to yellow liquid with a woody, violet odor. (NTP, 1992)
0.9210 g/cm3 @ Temp: 25 °C
115 °C @ Press: 3.8 Torr
122.0±17.5 °C
1.509
less than 1 mg/mL at 68° F (NTP, 1992)
Safety Information
Stable. Combustible. Incompatible with strong acid, alkalies, strong oxidizing agents.
|H411 (99.93%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1494 companies from 9 notifications to the ECHA C&L Inventory.|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one Use and Manufacturing
1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-: ACTIVE
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:206.32
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:295
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
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