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Butyl isobutyl phthalate

Butyl isobutyl phthalate structure

CAS No:
17851-53-5
Formula:
C16H22O4
Chemical Name:
Butyl isobutyl phthalate
Synonyms:
1,2-Benzenedicarboxylic acid,1-butyl 2-(2-methylpropyl) ester;Phthalic acid,butyl isobutyl ester;1,2-Benzenedicarboxylic acid,butyl 2-methylpropyl ester;Butyl isobutyl phthalate;Iso-butyl n-butyl phthalate;Butyl 2-methylpropyl phthalate;n-Butyl isobutyl phthalate;1-Butyl-2-isobutyl phthalate
Categories:
Chemical Reagents > Organic Reagents

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Butyl isobutyl phthalate Basic Attributes

Molecular Weight：

278.34348

Exact Mass：

278.34

EC Number：

241-802-2

UNII：

ZFJ3BJ8E4K

DSSTox ID：

DTXSID80170497

HScode：

2917349000

Characteristics

PSA：

52.6

XLogP3：

4.8

Density：

1.051±0.06 g/cm3(Predicted)

Boiling Point：

315.7±10.0 °C(Predicted)

Flash Point：

165.4ºC

Refractive Index：

1.497

Vapor Pressure：

0.000431mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

3082

hazard class code：

Drug Information

MeSH：

Compounds that inhibit or block the activity of GLYCOSIDE HYDROLASES such as ALPHA-AMYLASES and ALPHA-GLUCOSIDASES. (See all compounds classified as Glycoside Hydrolase Inhibitors.)

MeSH Entry Terms：

butyl isobutyl phthalate

Computed Properties

Molecular Weight:278.34
XLogP3:4.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:278.15180918
Monoisotopic Mass:278.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:20
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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