4-Hydroxy-3-methylbenzoic acid - CAS 499-76-3

Name: 4-Hydroxy-3-methylbenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026871
Product Name:	4-Hydroxy-3-methylbenzoic acid
CAS:	499-76-3
Synonyms:	4-hydroxy-3-methylbenzoic acid

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Computed Properties

IUPAC Name:	4-hydroxy-3-methylbenzoic acid
Description:	4-Hydroxy-3-methylbenzoic acid (CAS# 499-76-3) is a useful research chemical compound.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=C(C=CC(=C1)C(=O)O)O
InChI:	InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
InChI Key:	LTFHNKUKQYVHDX-UHFFFAOYSA-N
Boiling Point:	331.3 °C at 760 mmHg
Melting Point:	173-177 °C
Purity:	98 %
Density:	1.304 g/cm³
Solubility:	11.6 mg/mL at 100 °C
Appearance:	Solid
MDL:	MFCD00270105
LogP:	1.39880

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (86.36%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (13.64%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113512268-A	Halogen-free flame-retardant benzoxazine type active ester composition and preparation method and application thereof	20210318
KR-102256837-B1	I-Line Negative Photoresist Composition For Center-edge Height Difference Improvement and Line and Edge Roughness Improvement	20200924
CN-111057018-A	Method for producing 2- (2 ' -hydroxy-3 ' -methyl-5 ' -carboxyphenyl) benzotriazole	20191220
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

PMID	Publication Date	Title	Journal
23736872	20140201	The catabolism of 2,4-xylenol and p-cresol share the enzymes for the oxidation of para-methyl group in Pseudomonas putida NCIMB 9866	Applied microbiology and biotechnology
18939813	20081113	Solvent effects on the vibrational frequencies of the phenolate anion, the para-cresolate anion, and their radicals	The journal of physical chemistry. A
18387195	20080403	A new classification system for bacterial Rieske non-heme iron aromatic ring-hydroxylating oxygenases	BMC biochemistry
12712551	20030101	[Practical analysis of toxic substances useful for clinical toxicology. 5--Salicylate salts]	Chudoku kenkyu : Chudoku Kenkyukai jun kikanshi = The Japanese journal of toxicology
12638744	20020101	Biodegradation of dimethylphenols by bacteria with different ring-cleavage pathways of phenolic compounds	Environmental science and pollution research international

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9