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Orsellinic acid

Orsellinic acid structure

CAS No:
480-64-8
Formula:
C8H8O4
Chemical Name:
Orsellinic acid
Synonyms:
Benzoic acid,2,4-dihydroxy-6-methyl-;β-Resorcylic acid,6-methyl-;2,4-Dihydroxy-6-methylbenzoic acid;2,4-Dihydroxy-6-methylbenzenecarboxylic acid;4,6-Dihydroxy-o-toluic acid;6-Methyl-β-resorcylic acid;Orcinolcarboxylic acid;Orsellic acid;Orsellinic acid;o-Orsellinic acid;4,6-Dihydroxy-2-methylbenzoic acid
Categories:
Natural Products > Phenols

Description

ChEBI: A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group.

Orsellinic acid, more specifically o-orsellinic acid, is a phenolic acid. It is of importance in the biochemistry of lichens, from which it can be extracted.

O-orsellinic acid is a dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is a conjugate acid of an o-orsellinate.

Orsellinic acid Basic Attributes

Molecular Weight：

168.15

Exact Mass：

168.15

UNII：

11XLA0494B

DSSTox ID：

DTXSID20197385

HScode：

2918290000

Characteristics

PSA：

77.8

XLogP3：

1.7

Density：

1.5±0.1 g/cm3

Melting Point：

176 °C (decomp)

Boiling Point：

391.4°C at 760 mmHg

Flash Point：

204.7±18.8 °C

Refractive Index：

1.646

Water Solubility：

soluble in water, dimethyl sulfoxide or 100% ethanol.

Vapor Pressure：

7.89E-07mmHg at 25°C

Collision Cross Section：

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

Safety Information

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：

orsellinic acid

Orsellinic acid Use and Manufacturing

Use Classification：

Polyketides [PK] -> Aromatic polyketides [PK13] -> Monocyclic aromatic polyketides [PK1301]

Computed Properties

Molecular Weight:168.15
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:77.8
Heavy Atom Count:12
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

Recommended Suppliers of Orsellinic acid

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

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2,4-DIHYDROXY-6-METHYLBENZOIC ACID

CAS No.: 480-64-8

Grade: Industrial Grade

Content: 99%

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Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

480-64-8 2,4-dihydroxy-6-methylbenzoic acid

CAS No.: 480-64-8

Grade: Industrial Grade

Content: 95%

Inquiry