2,3-Dihydro-2,3,3-trimethyl-1H-inden-1-one
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2,3-Dihydro-2,3,3-trimethyl-1H-inden-1-one
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CAS No:
54440-17-4
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Formula:
C12H14O
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Chemical Name:
2,3-Dihydro-2,3,3-trimethyl-1H-inden-1-one
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Synonyms:
1H-Inden-1-one,2,3-dihydro-2,3,3-trimethyl-;1-Indanone,2,3,3-trimethyl-;2,3-Dihydro-2,3,3-trimethyl-1H-inden-1-one;2,3,3-Trimethyl-1-indanone;2,3,3-Trimethyl-2,3-dihydro-1H-inden-1-one;Safraleine
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CAS No:
Characteristics
17.07000
2.79660
1.018 g/cm3 @ Temp: 23 °C
136.5 °C @ Press: 18 Torr
104.336ºC
1.518
Practically insoluble or insoluble in water|Sparingly soluble (in ethanol)
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501|Aggregated GHS information provided by 1291 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 166 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Dihydro-2,3,3-trimethyl-1H-inden-1-one Use and Manufacturing
1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents
Computed Properties
Molecular Weight:174.24
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Exact Mass:174.104465066
Monoisotopic Mass:174.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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