Geranonitrile
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Geranonitrile
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CAS No:
5585-39-7
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Formula:
C10H15N
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Chemical Name:
Geranonitrile
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Synonyms:
2,6-Octadienenitrile,3,7-dimethyl-,(2E)-;2,6-Octadienenitrile,3,7-dimethyl-,(E)-;Geranonitrile;(2E)-3,7-Dimethyl-2,6-octadienenitrile;(E)-3,7-Dimethyl-2,6-octadienenitrile;(E)-3,7-Dimethyl-2,6-octadienenitrile
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CAS No:
Safety Information
UN 3082 9/PG 3
1
51/53-68
36/37-61
Xn,N
P201, P202, P260, P271, P273, P281, P284, P304+P340, P308+P313, P310, P320, P391, P403+P233, P405, P501
H330
|Danger|H340: May cause genetic defects [Danger Germ cell mutagenicity]|P201, P202, P281, P308+P313, P405, and P501|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 88 companies from 1 notifications to the ECHA C&L Inventory.|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.|H330 (10.76%): Fatal if inhaled [Danger Acute toxicity, inhalation]|P201, P202, P260, P264, P270, P271, P273, P281, P284, P304+P340, P308+P313, P309+P311, P310, P320, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 346 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Geranonitrile Use and Manufacturing
2,6-Octadienenitrile, 3,7-dimethyl-, (2Z)-: ACTIVE|2,6-Octadienenitrile, 3,7-dimethyl-: ACTIVE|2,6-Octadienenitrile, 3,7-dimethyl-, (2E)-: 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