4,4-Dimethyl-2-pentanol
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4,4-Dimethyl-2-pentanol
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CAS No:
6144-93-0
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Formula:
C7H16O
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Chemical Name:
4,4-Dimethyl-2-pentanol
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Synonyms:
2-Pentanol,4,4-dimethyl-;4,4-Dimethyl-2-pentanol;Methylneopentylcarbinol;(±)-4,4-Dimethyl-2-pentanol;1,3,3-Trimethyl-1-butanol;111768-03-7
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CAS No:
Characteristics
20.23000
1.80340
0.8115 g/cm3 @ Temp: 20 °C
52-53 °C
137-137.5 °C
98 °F
n20/D 1.418(lit.)
Safety Information
III
3.2
UN 1987 3/PG 3
3
R10
S16-S26-S36-S37-S39
Xi
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:116.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:61.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes