5-Methoxyresorcinol
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5-Methoxyresorcinol
structure -
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CAS No:
2174-64-3
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Formula:
C7H8O3
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Chemical Name:
5-Methoxyresorcinol
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Synonyms:
1,3-Benzenediol,5-methoxy-;Resorcinol,5-methoxy-;5-Methoxy-1,3-benzenediol;1,3-Dihydroxy-5-methoxybenzene;Phloroglucinol monomethyl ether;O-Methylphloroglucinol;Flamenol;1-Methoxy-3,5-benzenediol;5-Methoxyresorcinol;Monomethylphloroglucinol;3-Hydroxy-5-methoxyphenol;3,5-Dihydroxyanisole;5-Methoxybenzene-1,3-diol
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CAS No:
Description
Flamenol is a member of the class of resorcinols that is phloroglucinol in which one of the phenolic hydrogens has been replaced by a methyl group. It has a role as a Brassica napus metabolite. It is a member of resorcinols and a monomethoxybenzene. It derives from a phloroglucinol.
Characteristics
49.69000
0.91
1.3±0.1 g/cm3
80.3 °C
187-189 °C @ Press: 12 Torr
122.5±19.0 °C
1.580
Soluble in water.
0.000114mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R22
S26
Xn: Harmful;
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.
Computed Properties
Molecular Weight:140.14
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.047344113
Monoisotopic Mass:140.047344113
Topological Polar Surface Area:49.7
Heavy Atom Count:10
Complexity:95
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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