4-Hydroxy-2-methoxybenzoic acid methyl ester - CAS 28478-46-8

Catalog:	BB046633
Product Name:	4-Hydroxy-2-methoxybenzoic acid methyl ester
CAS:	28478-46-8
Synonyms:	Benzoic acid, 4-hydroxy-2-methoxy-, methyl ester; Methyl 4-hydroxy-o-anisate; Methyl 2-methoxy-4-hydroxybenzoate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-hydroxy-2-methoxybenzoate
Description:	4-Hydroxy-2-methoxybenzoic acid methyl ester (CAS# 28478-46-8 ) is a useful research chemical.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	COC1=C(C=CC(=C1)O)C(=O)OC
InChI:	InChI=1S/C9H10O4/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5,10H,1-2H3
InChI Key:	KCWJRQPHPPKPBK-UHFFFAOYSA-N
Boiling Point:	326.942 °C at 760 mmHg
Melting Point:	150-151 °C
Purity:	≥ 95 %
Density:	1.216 g/cm³

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]
(Z)-10-Hexadecenol
[62972-93-4]
(Z)-11-Octadecen-1-ol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0579088
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.0579088
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7