2,3,4-Trimethyl-3-pentanol
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2,3,4-Trimethyl-3-pentanol
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CAS No:
3054-92-0
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Formula:
C8H18O
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Chemical Name:
2,3,4-Trimethyl-3-pentanol
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Synonyms:
3-Pentanol,2,3,4-trimethyl-;2,3,4-Trimethyl-3-pentanol;1,1-Diisopropylethanol;Diisopropylmethylcarbinol
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CAS No:
Characteristics
20.2
2.04940
Clear liquid; Fruity aroma
0.8492 g/cm3 @ Temp: 20 °C
-61.15°C (estimate)
156.5 °C
50ºC
1.423
Soluble in heptane; insoluble in water
Safety Information
36/37/38
S26-S36/37/39
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
H226
|Warning|H226 (96.61%): 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 118 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3,4-Trimethyl-3-pentanol Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:130.23
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes