2-Decanone
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2-Decanone
structure -
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CAS No:
693-54-9
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Formula:
C10H20O
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Chemical Name:
2-Decanone
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Synonyms:
2-Decanone;Methyl octyl ketone;Methyl n-octyl ketone;Octyl methyl ketone
- Categories:
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CAS No:
Description
CLEAR SLIGHTLY YELLOW LIQUID Colorless clear liquid.
Liquid|Liquid; Fatty peachy, aldehyde-like aroma
Decan-2-one is a methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a decane.
Characteristics
17.1
3.7
Liquid
0.8230 g/cm3 @ Temp: 22 °C
14 °C
210 °C
160 °F
n20/D 1.425(lit.)
Soluble in alcohol. Insoluble in water.
0.27 mmHg
LD50 orl-mus: 7936 mg/kg TOLED5 30,13,86
1.32e-11 cm3/molecule*sec
Safety Information
NA 1993 / PGIII
2
S24/25
HE0725000
P273, P391, P501
H411
|H411 (100%): 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 1448 companies from 3 notifications to the ECHA C&L Inventory.
2-Decanone Use and Manufacturing
2-Decanone: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Flavoring Agents
Computed Properties
Molecular Weight:156.26
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:156.151415257
Monoisotopic Mass:156.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:97
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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