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Xanthoxylin

Xanthoxylin structure

CAS No:
90-24-4
Formula:
C10H12O4
Chemical Name:
Xanthoxylin
Synonyms:
Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-;Acetophenone,2′-hydroxy-4′,6′-dimethoxy-;1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone;Brevifolin;Phloroacetophenone dimethyl ether;Xanthoxylin;2,4-Di-O-methylphloroacetophenone;2′-Hydroxy-4′,6′-dimethoxyacetophenone;Brevifolin (Zanthoxylum);Phloroacetophenone 2,4-dimethyl ether;1-Acetyl-2-hydroxy-4,6-dimethoxybenzene;NSC 17392;2-Acetyl-3,5-dimethoxyphenol;2′,4′-Dimethoxy-6′-hydroxyacetophenone;4′,6′-Dimethoxy-2′-hydroxyacetophenone;1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one;1401-86-1;1401-87-2
Categories:
Natural Products > Phenols

Description

Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans. Xanthoxylin (Xanthoxyline) has antifungal and antispasmodic activities[1][2].

Solid

Xanthoxylin is a carboxylic ester. It derives from a phloroglucinol.

Xanthoxylin Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

BRN：

1285013

EC Number：

201-978-3

UNII：

Z8RSY5TZPA

NSC Number：

17392

DSSTox ID：

DTXSID10237981

HScode：

2914509090

Characteristics

PSA：

55.8

XLogP3：

1.7

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

82 °C

Boiling Point：

307 °C @ Press: 760 Torr

Flash Point：

185°C/20mm

Refractive Index：

1.528

Water Solubility：

soluble in hot methanol.

Collision Cross Section：

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

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hydroxy-4,6-dimethoxyacetophenone

Xanthoxylin Use and Manufacturing

1-(2-Hydroxy-4,6-dimethylphenyl)-ethanone was investigated for its properties as an antibacterial agent and urease inhibitory effects.

Computed Properties

Molecular Weight:196.20
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:14
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Xanthoxylin

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
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2'-HYDROXY-4',6'-DIMETHOXYACETOPHENONE

CAS No.: 90-24-4

Grade: Pharmaceutical Grade

Content: 99%

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JHECHEM CO LTD Contact Supplier

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4',6'-Dimethoxy-2'-hydroxyacetophenone

CAS No.: 90-24-4

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