(2Z)-3,7-Dimethyl-2,6-octadienenitrile
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(2Z)-3,7-Dimethyl-2,6-octadienenitrile
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CAS No:
31983-27-4
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Formula:
C10H15N
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Chemical Name:
(2Z)-3,7-Dimethyl-2,6-octadienenitrile
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Synonyms:
2,6-Octadienenitrile,3,7-dimethyl-,(2Z)-;2,6-Octadienenitrile,3,7-dimethyl-,(Z)-;(2Z)-3,7-Dimethyl-2,6-octadienenitrile;(Z)-3,7-Dimethyl-2,6-octadienenitrile;Neral nitrile;(Z)-3,7-Dimethyl-2,6-octadienenitrile
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CAS No:
(2Z)-3,7-Dimethyl-2,6-octadienenitrile Basic Attributes
149.23300
149.23
250-883-3
H0A28Q5S6U
DTXSID0044816
2926909090
Characteristics
23.79000
3.20268
Colourless to pale yellow oily liquid
0.853 g/mL at 25ºC(lit.)
247.9ºC at 760 mmHg
103.7ºC
n20/D 1.475(lit.)
Safety Information
UN 3082 9
R51/53
36/37-61
Xn; N
|Warning|H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|Aggregated GHS information provided by 10 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H340: May cause genetic defects [Danger Germ cell mutagenicity]|P201, P202, P281, P308+P313, P405, and P501
(2Z)-3,7-Dimethyl-2,6-octadienenitrile Use and Manufacturing
2,6-Octadienenitrile, 3,7-dimethyl-, (2Z)-: ACTIVE
Computed Properties
Molecular Weight:149.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:149.120449483
Monoisotopic Mass:149.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:208
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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