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4-Methylumbelliferone butyrate

4-Methylumbelliferone butyrate structure

CAS No:
17695-46-4
Formula:
C14H14O4
Chemical Name:
4-Methylumbelliferone butyrate
Synonyms:
Butanoic acid,4-methyl-2-oxo-2H-1-benzopyran-7-yl ester;Butyric acid,ester with 7-hydroxy-4-methylcoumarin;Coumarin,7-hydroxy-4-methyl-,butyrate;Butyryl 4-methylumbelliferone;4-Methylumbelliferone butyrate;NSC 152103;NSC 688808;Butyric acid 4-methyl-2-oxo-2H-chromen-7-yl ester;Methylumbelliferyl butyrate;(4-Methyl-2-oxochromen-7-yl) butanoate

Description

4-methylumbelliferyl butyate is a member of the class of coumarins that is 4-methylumbelliferone in which the hydroxyl hydrogen is replaced by a butyryl group. It has a role as a chromogenic compound. It is a member of coumarins and a butyrate ester. It derives from a 4-methylumbelliferone.

4-Methylumbelliferone butyrate Basic Attributes

Molecular Weight：

246.25900

Exact Mass：

246.26

EC Number：

241-694-7

UNII：

THY0NZ2Z72

NSC Number：

688808|152103

DSSTox ID：

DTXSID0066246

HScode：

2932209090

Characteristics

PSA：

56.51000

XLogP3：

2.80690

Density：

1.197 g/cm3

Melting Point：

94 °C @ Solvent: Ethanol

Boiling Point：

393.4ºC at 760 mmHg

Flash Point：

199.8ºC

Refractive Index：

1.545

Storage Conditions：

-20ºC

Vapor Pressure：

2.13E-06mmHg at 25°C

Safety Information

hazard class code：

R26/27/28

safety instructions：

S24/25

Marks：

T+

Drug Information

MeSH Entry Terms：

4-methylumbelliferone butanoate

4-Methylumbelliferone butyrate Use and Manufacturing

Manufacturing Info：

Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester: INACTIVE

Computed Properties

Molecular Weight:246.26
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:246.08920892
Monoisotopic Mass:246.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Methylumbelliferyl butyrate

CAS No.: 17695-46-4

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Guide of 4-Methylumbelliferone butyrate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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