(3S)-1-Octyn-3-ol
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(3S)-1-Octyn-3-ol
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CAS No:
32556-71-1
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Formula:
C8H14O
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Chemical Name:
(3S)-1-Octyn-3-ol
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Synonyms:
1-Octyn-3-ol,(3S)-;1-Octyn-3-ol,(S)-;1-Octyn-3-ol,(S)-(-)-;(3S)-1-Octyn-3-ol;(S)-1-Octyn-3-ol;(S)(-)-1-Octyn-3-ol;(-)-1-Octyn-3-ol;(3S)-Hydroxy-1-octyne;(S)-1-Octyne-3-ol;(3S)-Oct-1-yn-3-ol;257943-25-2
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CAS No:
Characteristics
20.23000
1.56080
clear liquid
0.864 g/mL at 25 °C(lit.)
-39°C (estimate)
120 °C @ Press: 20 Torr
64ºC
n20/D 1.442(lit.)
13.41±0.20
Safety Information
III
UN 2810 6.1/PG 3
3
20/21/22
27-36/37/39-45
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:126.20
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:98.4
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes