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Esculetin

Esculetin structure

CAS No:
305-01-1
Formula:
C9H6O4
Chemical Name:
Esculetin
Synonyms:
2H-1-Benzopyran-2-one,6,7-dihydroxy-;Coumarin,6,7-dihydroxy-;Esculetin;6,7-Dihydroxy-2H-1-benzopyran-2-one;Cichorigenin;Cichoriin aglycon;6,7-Dihydroxycoumarin;Esculetol;Esculin aglycon;Aesculetin;Asculetine;NSC 26428;6,7-Dihydroxy-2-benzopyrone
Categories:
Cosmetic Ingredient > Skin Conditioning

Description

Esculetin is an active ingredient extracted mainly from the bark of Fraxinus rhynchophylla. Esculetin inhibits platelet-derived growth factor (PDGF)-induced airway smooth muscle cells (ASMCs) phenotype switching through inhibition of PI3K/Akt pathway. Esculetin has antioxidant, antiinflammatory, and antitumor activities[1].

Solid

Esculetin is a hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. It has a role as an antioxidant, an ultraviolet filter and a plant metabolite.

Esculetin Basic Attributes

Molecular Weight：

178.14

Exact Mass：

178.14

BRN：

152788

EC Number：

206-161-5

UNII：

SM2XD6V944

NSC Number：

26428

DSSTox ID：

DTXSID3075383

HScode：

2932209090

Characteristics

PSA：

66.8

XLogP3：

1.2

Appearance：

Light yellow powder

Density：

1.56 g/cm³

Melting Point：

276 °C

Boiling Point：

469.7°C at 760 mmHg

Flash Point：

201.5±22.2 °C

Refractive Index：

1.689

Water Solubility：

Solubility Almost insoluble in boiling water, ether; soluble in hot ethanol, glacial acetic acid

Storage Conditions：

2-8°C

Collision Cross Section：

129.5 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Packing level：

I; II; III

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

GN6382500

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

MeSH Entry Terms：

6,7-dihydroxycoumarin

Esculetin Use and Manufacturing

In filters for absorption of ultraviolet light.This product is an intermediate of the drug Pingchuanning. 6,7-Dihydroxycoumarin is methylated with dimethyl sulfate to obtain Pingchuanning (dimethoxycoumarin). This is an anti-asthmatic medicine, which has obvious anti-asthmatic effect, and can have expectorant and antitussive effects. Qinpi B itself is an antibacterial drug that has an inhibitory effect on dysentery bacillus, can be used to treat acute dysentery, and has antiasthmatic and expectorant effects, and can also be used to treat chronic tracheitis.

Computed Properties

Molecular Weight:178.14
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:178.02660867
Monoisotopic Mass:178.02660867
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Quinone

Downstream Products

Oxalic acid

Formic acid

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Guide of Esculetin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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