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Ethyl orsellinate

Ethyl orsellinate structure

CAS No:
2524-37-0
Formula:
C10H12O4
Chemical Name:
Ethyl orsellinate
Synonyms:
Benzoic acid,2,4-dihydroxy-6-methyl-,ethyl ester;β-Resorcylic acid,6-methyl-,ethyl ester;Ethyl orsellinate;Ethyl 2,4-dihydroxy-6-methylbenzoate;NSC 149781;2,4-Dihydroxy-6-methylbenzoic acid ethyl ester
Categories:
Natural Products > Phenols

Description

Ethyl orsellinate is a lichen metabolite and a derivative of lecanoric acid with antiproliferative and antitumour activities[1]. Ethyl Orsellinate is against A. salina for the cytotoxic activity with an LC50 of 495 μM[2].

2,4-dihydroxy-6-methylbenzoic acid ethyl ester is a 4-hydroxybenzoate ester.

Ethyl orsellinate Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

UNII：

3035H4GP23

NSC Number：

149781

DSSTox ID：

DTXSID4062488

HScode：

2918199090

Characteristics

PSA：

66.8

XLogP3：

2.3

Density：

1.3±0.1 g/cm3

Melting Point：

132 °C

Boiling Point：

349.5°C at 760 mmHg

Flash Point：

138.6±15.8 °C

Refractive Index：

1.567

Vapor Pressure：

2.33E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl orsellinate Use and Manufacturing

Methods of Manufacturing

Add 2, 4-dihydroxy-3, 5-dibromo-6-methylbenzoic acid ethyl ester to sodium hydroxide solution, and carry out hydrogenolysis in the presence of palladium/polyvinyl alcohol catalyst. After the reaction, sodium chloride was added to precipitate the catalyst, filtered, the filtrate was acidified and then extracted with chloroform, and the extract was recovered to obtain ethyl 2, 4-dihydroxy-6-methylbenzoate.

Uses

Synthesis of intermediates by machine.

Manufacturing Info：

Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:196.20
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetylacetone

Ethanol

Recommended Suppliers of Ethyl orsellinate

Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed Certified factory

Manufactory Supplier of Dyes,Textile agent,Medical intermediate,API,Pigments,Basic Chemicals

methyl orsellinate

CAS No.: 2524-37-0

Grade: pharmaceutical grade

Content: 98%

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