1-Heptyn-3-ol
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1-Heptyn-3-ol
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CAS No:
7383-19-9
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Formula:
C7H12O
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Chemical Name:
1-Heptyn-3-ol
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Synonyms:
1-Heptyn-3-ol;Butylethynylcarbinol;3-Hydroxy-1-heptyne;(3RS)-1-Heptyn-3-ol;(RS)-1-Heptyn-3-ol;51586-58-4
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CAS No:
Characteristics
20.2
1.56
0.9±0.1 g/cm3
-20.62°C (estimate)
60 °C @ Press: 5 Torr
50.8±8.2 °C
1.450
Slightly soluble in water.
Safety Information
III
3
UN 1993 3/PG 3
3
22
S61
Xn: Harmful;N: Dangerous for the environment;
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:112.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:87.8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes