3-Ethyl-3-pentanol
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3-Ethyl-3-pentanol
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CAS No:
597-49-9
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Formula:
C7H16O
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Chemical Name:
3-Ethyl-3-pentanol
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Synonyms:
3-Pentanol,3-ethyl-;3-Ethyl-3-pentanol;Triethylcarbinol;Triethylmethanol;3-Ethyl-3-hydroxypentane;1,1-Diethyl-1-propanol;NSC 25500
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CAS No:
Description
clear colorless to slightly yellow liquid
3-Ethylpentan-3-ol, also known as 3-ethyl-3-pentanol, is a tertiary alcohol with the molecular formula C7H16O.
Characteristics
20.2
1.94750
clear colorless to slightly yellow liquid
0.8407 g/cm3 @ Temp: 22.4 °C
-12.5 °C
142 °C
104 °F
n20/D 1.430(lit.)
Slightly soluble in water. soluble in alcohol.
Flammables area
LD50 scu-mus: 700 mg/kg ARZNAD 5,161,55
Safety Information
III
3
UN 1987 3/PG 3
3
10-41-37/38-22
16-39-26
SA6780000
Xn
P261-P280-P305 + P351 + P338
H226-H302-H315-H318-H335
UN 1987 3
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Ethyl-3-pentanol Use and Manufacturing
It is obtained by hydrolysis after reacting ethyl carbonate with Grignard reagent.
Used as a solvent, but also for organic synthesis.
3-Pentanol, 3-ethyl-: ACTIVE
Computed Properties
Molecular Weight:116.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:47.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes