Orcinol
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Orcinol
structure -
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CAS No:
504-15-4
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Formula:
C7H8O2
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Chemical Name:
Orcinol
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Synonyms:
1,3-Benzenediol,5-methyl-;Resorcinol,5-methyl-;5-Methyl-1,3-benzenediol;1,3-Dihydroxy-5-methylbenzene;3,5-Dihydroxytoluene;5-Methylresorcinol;Orcin;Orcinol;3-Hydroxy-5-methylphenol;5-Methyl-1,3-dihydroxybenzene;1,5-Dihydroxy-3-methylbenzene;NSC 12441
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CAS No:
Description
Orcinol (3,5-Dihydroxytoluene) is an organic compound used as biological dye and indicator for proteomics research.
Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.
Characteristics
40.5
1.6
Pink-gray to pink-brown Crystalline Powder or Crystals
1.2±0.1 g/cm3
107.5 °C
289.5 °C
159 °C
1.595
Store at<= 20°C.
LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Safety Information
III
2811
3
22-36/37/38-41-37/38-20/21/22
22-26-36-37/39
VH2100000
Xn
Stable under normal temperatures and pressures. Substance may discolor on exposure to light.
P261-P305 + P351 + P338
H302-H315-H319-H335
Drug Information
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)
3,5-dihydroxytoluene
Computed Properties
Molecular Weight:124.14
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:124.052429494
Monoisotopic Mass:124.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:82.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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