ChemicalBook CAS DataBase List 2612-02-4

2612-02-4

Name	5-Methoxysalicylic acid
CAS	2612-02-4
EINECS(EC#)	220-037-8
Molecular Formula	C8H8O4
MDL Number	MFCD00002459
Molecular Weight	168.15
MOL File	2612-02-4.mol

Chemical Properties

Appearance	beige fine crystalline powder
Melting point	141-143 °C(lit.)
Boiling point	217.07°C (rough estimate)
density	1.1816 (rough estimate)
refractive index	1.4611 (estimate)
storage temp.	Sealed in dry,Room Temperature
solubility	DMSO (Slightly), Methanol (Slightly)
form	Fine Crystalline Powder
pka	3.01±0.10(Predicted)
color	Beige
Water Solubility	1.7 g/L (10 ºC)
BRN	2209647
InChIKey	IZZIWIAOVZOBLF-UHFFFAOYSA-N
LogP	2.100 (est)
CAS DataBase Reference	2612-02-4(CAS DataBase Reference)
EPA Substance Registry System	2612-02-4(EPA Substance)

Safety Data

Hazard Codes	Xi,Xn
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	3
TSCA	Yes
HS Code	29189900

Raw materials And Preparation Products

Hazard Information

Description

5-Methoxysalicylic acid is a chemical compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. It is a component of castoreum, the exudate from the castor sacs of the mature beaver.
A mixture of 5-methoxysalicylic acid and spermine can be used as a matrix for oligonucleotides analysis in MALDI mass spectrometry.
It is an isomer of vanillic acid.
2-Hydroxy-5-methoxybenzoic acid is matrix additive which enhances the electrical conductivity of the matrix crystal during matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS).

Chemical Properties

beige fine crystalline powder

Uses

2-Hydroxy-5-methoxybenzoic acid was used to evaluate MALDI matrix/solvent combinations for intact spore mass spectrometry of Fusarium species.

Uses

5-Methoxysalicylic acid was used to evaluate MALDI matrix/solvent combinations for intact spore mass spectrometry of Fusarium species.

Definition

ChEBI:5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite.

Synthesis Reference(s)

Journal of the American Chemical Society, 72, p. 2301, 1950 DOI: 10.1021/ja01161a530

General Description

2-Hydroxy-5-methoxybenzoic acid is matrix additive which enhances the electrical conductivity of the matrix crystal during matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS).

Spectrum Detail

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