3-Ethyl-1-heptyn-3-ol
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3-Ethyl-1-heptyn-3-ol
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CAS No:
5396-61-2
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Formula:
C9H16O
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Chemical Name:
3-Ethyl-1-heptyn-3-ol
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Synonyms:
1-Heptyn-3-ol,3-ethyl-;3-Ethyl-1-heptyn-3-ol;NSC 4328
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CAS No:
Safety Information
UN 3082 9/PG 3
2
R22:Harmful if swallowed. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
S61
Xn,N
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:140.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:140.120115130
Monoisotopic Mass:140.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:131
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes