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4-Penten-2-one

4-Penten-2-one structure

CAS No:
13891-87-7
Formula:
C5H8O
Chemical Name:
4-Penten-2-one
Synonyms:
4-Penten-2-one;Vinyl acetone;Methyl allyl ketone;Allyl methyl ketone;1-Penten-4-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

4-penten-2-one is a methyl ketone that is pent-1-ene substituted by an oxo group at position 4. It has a role as a metabolite. It is a methyl ketone and an olefinic compound.

4-Penten-2-one Basic Attributes

Molecular Weight：

84.12 g/mol

Exact Mass：

84.12

UNII：

4CUM84CQ9J

DSSTox ID：

DTXSID50160840

Characteristics

PSA：

17.1 Å²

XLogP3：

0.734 (est)

Density：

0.868 g/cm³ @ Temp: 17 °C

Boiling Point：

111-112 °C

Water Solubility：

3.863e+004 mg/L @ 25 °C (est)

4-Penten-2-one Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:84.12
XLogP3:0.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:64.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Penten-2-one

Speranza Chemical Co.,Ltd Contact Supplier

CN
7 YRS

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Methyl allyl ketone

CAS No.: 13891-87-7

Grade: Industrial Grade

Content: 98%

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