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Orcylaldehyde

Orcylaldehyde structure

CAS No:
487-69-4
Formula:
C8H8O3
Chemical Name:
Orcylaldehyde
Synonyms:
Benzaldehyde,2,4-dihydroxy-6-methyl-;β-Resorcylaldehyde,6-methyl-;2,4-Dihydroxy-6-methylbenzaldehyde;Orcylaldehyde;o-Orsellinaldehyde;Orcinaldehyde;4-Formyl-5-methylresorcinol;2-Formyl-5-hydroxy-3-methylphenol;NSC 72346;4-Formyl-5-methylbenzene-1,3-diol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

2,4-dihydroxy-6-methylbenzaldehyde is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogen at position 6 has been replaced by a methyl group. It is a fungal metabolite isolated from Grifola frondosa and Phlebiopsis gigantea. It has a role as an apoptosis inducer, an anti-inflammatory agent and a fungal metabolite.

Orcylaldehyde Basic Attributes

Molecular Weight：

152.15 g/mol

Exact Mass：

152.15

UNII：

15U7JE2JVK

NSC Number：

72346

DSSTox ID：

DTXSID70291004

Characteristics

PSA：

57.5 Å²

Melting Point：

182-183 °C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

o-orsellinaldehyde

Computed Properties

Molecular Weight:152.15
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes