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5-Methyl-3-methylene-2-hexanone

5-Methyl-3-methylene-2-hexanone structure

CAS No:
1187-87-7
Formula:
C8H14O
Chemical Name:
5-Methyl-3-methylene-2-hexanone
Synonyms:
5-METHYL-3-METHYLENE-2-HEXANONE;5-Methyl-3-methylenehexan-2-one;5-methyl-3-methylidenehexan-2-one;2-Hexanone, 5-methyl-3-methylene-;3-Isobutyl-3-buten-2-one #;SCHEMBL12447513;DTXSID40152214;ZINC2039801;AKOS022182574;DB-129374
Categories:
Organic Chemistry > Nitrogen Compounds

Description

5-Methyl-3-methylene-2-hexanone is a ketone compound, transparent and colorless, with a molecular weight of 126.19, a molecular formula of C8H14O, a boiling point of 125-128 °C, soluble in chloroform and slightly soluble in methanol.

5-Methyl-3-methylene-2-hexanone Basic Attributes

Molecular Weight：

126.199

Exact Mass：

126.104462

DSSTox ID：

DTXSID40152214

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.00

Density：

0.824±0.06 g/cm3(Predicted)

Boiling Point：

125-128 °C(Press: 730 Torr)

Flash Point：

54.1±11.9 °C

Refractive Index：

1.419

Vapor Pressure：

1.5mmHg at 25°C

5-Methyl-3-methylene-2-hexanone Use and Manufacturing

5-Methyl-3-methylene-2-hexanone is a biochemical used in proteomics research, it is an impurity of Tetrabenazine (T284000), an antipsychotic.

Computed Properties

Molecular Weight:126.20
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Methyl-3-methylene-2-hexanone

CAS No.: 1187-87-7

Content: 99.00%

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Guide of 5-Methyl-3-methylene-2-hexanone

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Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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