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3-METHYL-5-HEXANONE

3-METHYL-5-HEXANONE structure

CAS No:
105-42-0
Formula:
C7H14O
Chemical Name:
3-METHYL-5-HEXANONE
Synonyms:
4-MEYHYL-2-HEXANONE;4-METHYL-2-HEXANONE;3-METHYL-5-HEXANONE;4-methyl-hexan-2-one;2-Hexanone,4-methyl-;3-METHYL-5-HEXANONE90+%;Methyl2-methylbutylketone;4-methyl-2-hexanone(SALTDATA:FREE)

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3-METHYL-5-HEXANONE Basic Attributes

Molecular Weight：

114.186

Exact Mass：

114.104462

NSC Number：

128218

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

1.78

Density：

0.8±0.1 g/cm3

Boiling Point：

138.8±8.0 °C at 760 mmHg

Flash Point：

31.0±7.5 °C

Refractive Index：

1.402

3-METHYL-5-HEXANONE Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Computed Properties

Molecular Weight:114.19
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:76.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-METHYL-5-HEXANONE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

3-METHYL-5-HEXANONE

SDS

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