3-Ethylpentane
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3-Ethylpentane
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CAS No:
617-78-7
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Formula:
C7H16
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Chemical Name:
3-Ethylpentane
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Synonyms:
Pentane,3-ethyl-;3-Ethylpentane;NSC 74151
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CAS No:
Description
Colorless liquid. Soluble in alcohol; insoluble in water. Combustible.
3-Ethylpentane (C7H16) is a branched, saturated hydrocarbon. It is an alkane, and one of the many structural isomers of heptane, consisting of a five carbon chain with a two carbon branch at the middle carbon.
3-ethylpentane is an alkane that is pentane substituted by an ethyl group at position 3. It has a role as a bacterial metabolite and a human metabolite. It is an alkane and a volatile organic compound.
Safety Information
UN 1206
11-38
9-16-33
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501
H225
UN 1206
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
3-Ethylpentane Use and Manufacturing
Organic synthesis.
Fatty Acyls [FA] -> Hydrocarbons [FA11]
Computed Properties
Molecular Weight:100.20
XLogP3:3.7
Rotatable Bond Count:3
Exact Mass:100.125200510
Monoisotopic Mass:100.125200510
Heavy Atom Count:7
Complexity:21.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes