6,10-Dimethyl-5,9-undecadien-2-one
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6,10-Dimethyl-5,9-undecadien-2-one
structure -
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CAS No:
689-67-8
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Formula:
C13H22O
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Chemical Name:
6,10-Dimethyl-5,9-undecadien-2-one
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Synonyms:
5,9-Undecadien-2-one,6,10-dimethyl-;5,9-Hendecadien-2-one,6,10-dimethyl-;6,10-Dimethyl-5,9-undecadien-2-one;2,6-Dimethylundeca-2,6-dien-10-one;Dihydropseudoionone;6,10-Dimethyl-5,9-undecadiene-2-one;NSC 406679;6,10-Dimethyl-5,9-undec-2-one
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CAS No:
Description
Geranylacetone occurs in (5Z)-trans
as well as in (5E)-trans form and has been identified in fruits and in essential oils.
It is a colorless liquid with a fresh, green, slightly penetrating, rose-like odor.
Geranylacetone is an intermediate in the synthesis of other fragrance substances.
It is mainly produced from linalool. Another route starts from myrcene,
to which methyl acetoacetate is added under rhodium catalysis; geranylacetone is
subsequently obtained after saponification and decar
6,10-Dimethyl-5,9-undecadien-2-one Basic Attributes
194.313
194.31
211-711-2
DTXSID00110072
2914190090
Characteristics
17.07000
4.13
Colourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma
0.871 g/cm3 @ Temp: 23 °C
141-143 °C @ Press: 13 Torr
107.2±0.0 °C
1.459
Not miscible or difficult to mix in water. Soluble in alcohol.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
YQ1190000
Xi: Irritant;
P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, and P501|Aggregated GHS information provided by 1684 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:194.31
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:194.167065321
Monoisotopic Mass:194.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:230
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6,10-Dimethyl-5,9-undecadien-2-one
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