Methyl 2,5-dihydroxybenzoate - CAS 2150-46-1

Catalog:	BB016923
Product Name:	Methyl 2,5-dihydroxybenzoate
CAS:	2150-46-1
Synonyms:	methyl 2,5-dihydroxybenzoate

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	methyl 2,5-dihydroxybenzoate
Description:	Methyl 2,5-dihydroxybenzoate (CAS# 2150-46-1) is a general reagent used in the synthesis of angiogenesis inhibitors that display anti-tumor activity.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)O)O
InChI:	InChI=1S/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3
InChI Key:	XGDPKUKRQHHZTH-UHFFFAOYSA-N
Boiling Point:	328.2 °C at 760 mmHg
Melting Point:	86-88 °C
Purity:	95 %
Density:	1.354 g/cm³
Appearance:	Powder
MDL:	MFCD00016464
LogP:	0.88440

Publication Number	Title	Priority Date
US-11007134-B1	Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof	20200331
WO-2021202493-A1	Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof	20200331
US-11091447-B2	UBE2K modulators and methods for their use	20200103
US-2021214320-A1	Ube2k modulators and methods for their use	20200103
WO-2021138540-A1	Polycyclic amides as ube2k modulators for treating cancer	20200103

PMID	Publication Date	Title	Journal
22476602	20120801	In vitro activity of extracts and isolated polyphenols from West African medicinal plants against Plasmodium falciparum	Parasitology research
20598166	20100705	Whole-cell fungal transformation of precursors into dyes	Microbial cell factories
20441569	20100527	Derivatization of the azole 1-aminobenzotriazole using laccase of Pycnoporus cinnabarinus and Myceliophthora thermophila: influence of methanol on the reaction and biological evaluation of the derivatives	Biotechnology and applied biochemistry
19865532	20090915	Mechanisms regulating skin pigmentation: the rise and fall of complexion coloration	International journal of molecular sciences
19338593	20090401	Allergic contact dermatitis to methyl gentisate	Contact dermatitis

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

GHS Hazard Statement:	H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6