2,5-Dimethylbenzoic acid - CAS 610-72-0

Catalog:	BB030930
Product Name:	2,5-Dimethylbenzoic acid
CAS:	610-72-0
Synonyms:	2,5-dimethylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2,5-dimethylbenzoic acid
Description:	A thiazolidinedione analogue prepared for use as a 15-hydroxyprostaglandin dehydrogenase (15-PGDH) inhibitor and wound healing promoter.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CC1=CC(=C(C=C1)C)C(=O)O
InChI:	InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:	XZRHNAFEYMSXRG-UHFFFAOYSA-N
Boiling Point:	268 ℃
Density:	1.06 g/cm³
Appearance:	White to off-white crystalline powder
MDL:	MFCD00002482
LogP:	2.00160

Publication Number	Title	Priority Date
CN-113149833-A	Purification method of alkylbenzoic acid	20210310
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
RU-2715001-C2	Thickener of aqueous solution of acid and / or salt, method of thickening aqueous solution of acid and / or salt and method of oil production using said thickener, set of components for thickening of aqueous solution of acid and / or salt and composition for implementation of acid hydraulic fracturing of formation, including said thickener	20190729
CN-109970551-B	Preparation method of o-methyl aryl formic acid derivative	20190415
WO-2020148617-A1	3-substituted phenylamidine compounds, preparation and use thereof	20190114

PMID	Publication Date	Title	Journal
12038862	20020101	Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats	International journal of occupational medicine and environmental health

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2