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3-Butyl-2,4-pentanedione

3-Butyl-2,4-pentanedione structure

CAS No:
1540-36-9
Formula:
C9H16O2
Chemical Name:
3-Butyl-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-butyl-;3-Butyl-2,4-pentanedione;3-Butylacetylacetone;3-Acetyl-2-heptanone;NSC 2249;3-n-Butyl-2,4-pentanedione;3-Butylpentan-2,4-dione;3-(1-Butyl)-pentane-2,4-dione

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3-Butyl-2,4-pentanedione Basic Attributes

Molecular Weight：

156.22

Exact Mass：

156.22

EC Number：

216-274-1

UNII：

6C6N2RN9MM

NSC Number：

2249

DSSTox ID：

DTXSID50165512

HScode：

2914190090

Characteristics

PSA：

34.14000

XLogP3：

1.97080

Density：

0,927 g/cm 3

Melting Point：

42.5-43.5 °C

Boiling Point：

210-212 °C @ Press: 750 Torr

Flash Point：

101-104°C/10mm

Refractive Index：

1.447

Vapor Pressure：

0.00253mmHg at 25°C

Safety Information

safety instructions：

26-37

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:156.22
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:156.115029749
Monoisotopic Mass:156.115029749
Topological Polar Surface Area:34.1
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Butyl-2,4-pentanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Butyl-2,4-pentanedione

SDS

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