2,4,4-Trimethyl-1-pentanol
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2,4,4-Trimethyl-1-pentanol
structure -
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CAS No:
16325-63-6
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Formula:
C8H18O
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Chemical Name:
2,4,4-Trimethyl-1-pentanol
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Synonyms:
1-Pentanol,2,4,4-trimethyl-;2,4,4-Trimethyl-1-pentanol;NSC 24283;111675-46-8
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CAS No:
Characteristics
20.2 Ų
0.818 g/mL at 25 °C(lit.)
-61.15°C (estimate)
78-80 °C @ Press: 22 Torr
n20/D 1.427(lit.)
15.03±0.10
Safety Information
III
3.2
UN 1987 3/PG 3
3
24/25
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:130.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:71.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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