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8-Acetyl-7-hydroxy-4-methylcoumarin

8-Acetyl-7-hydroxy-4-methylcoumarin structure

CAS No:
2555-29-5
Formula:
C12H10O4
Chemical Name:
8-Acetyl-7-hydroxy-4-methylcoumarin
Synonyms:
2H-1-Benzopyran-2-one,8-acetyl-7-hydroxy-4-methyl-;Coumarin,8-acetyl-7-hydroxy-4-methyl-;Umbelliferone,8-acetyl-4-methyl-;8-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one;4-Methyl-7-hydroxy-8-acetylcoumarin;7-Hydroxy-8-acetyl-4-methylcoumarin;8-Acetyl-7-hydroxy-4-methylcoumarin;4-Methyl-7-hydroxy-8-acetocoumarin;8-Acetyl-4-methylumbelliferone;NSC 19027;8-Acetyl-4-methyl-7-hydroxycoumarin

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8-Acetyl-7-hydroxy-4-methylcoumarin Basic Attributes

Molecular Weight：

218.21

Exact Mass：

218.21

UNII：

0084XV5Z4C

NSC Number：

19027

DSSTox ID：

DTXSID30180243

Characteristics

PSA：

63.6

XLogP3：

2.66

Density：

1.3±0.1 g/cm3

Melting Point：

168 °C @ Solvent: Ethanol

Boiling Point：

426.1±45.0 °C at 760 mmHg

Flash Point：

170.7±22.2 °C

Refractive Index：

1.599

Vapor Pressure：

7.3E-08mmHg at 25°C

Safety Information

RTECS Number：

GN4910000

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

8-acetyl-7-hydroxy-4-methylcoumarin

8-Acetyl-7-hydroxy-4-methylcoumarin Use and Manufacturing

Methods of Manufacturing

Resorcinol and ethyl acetoacetate are condensed with the participation of sulfuric acid to form 7-hydroxy-4-methylcoumarin, which is then acetylated with acetic anhydride to obtain 7-acetoxy-4-methylcoumarin , The latter is heated with the participation of anhydrous aluminum trichloride to obtain the product after molecular rearrangement.

Uses

Intermediate of cromoglycate.

Computed Properties

Molecular Weight:218.20
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

m-Xylene

Resorcinol

Aluminum trichloride hexahydrate

Hot Searches: bromocyclohexane; zinc carbonate; n2o4 lewis structure; t-butyl alcohol; tetrafluoroethylene; sulfur dioxide formula

Guide of 8-Acetyl-7-hydroxy-4-methylcoumarin

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

8-Acetyl-7-hydroxy-4-methylcoumarin

SDS

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