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5-Pentyl-1,3-cyclohexanedione

5-Pentyl-1,3-cyclohexanedione structure

CAS No:
18456-88-7
Formula:
C11H18O2
Chemical Name:
5-Pentyl-1,3-cyclohexanedione
Synonyms:
1,3-Cyclohexanedione,5-pentyl-;5-Pentyl-1,3-cyclohexanedione;5-Pentylcyclohexane-1,3-dione

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5-Pentyl-1,3-cyclohexanedione Basic Attributes

Molecular Weight：

182.25900

Exact Mass：

182.26

DSSTox ID：

DTXSID00575804

HScode：

2914299000

Characteristics

PSA：

34.14000

XLogP3：

2.50500

Density：

0.977g/cm3

Melting Point：

70-71 °C

Boiling Point：

298.919ºC at 760 mmHg

Flash Point：

111.607ºC

Refractive Index：

1.461

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:182.26
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:182.130679813
Monoisotopic Mass:182.130679813
Topological Polar Surface Area:34.1
Heavy Atom Count:13
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Pentyl-1,3-cyclohexanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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