2,4-Dimethylphenylacetic Acid - CAS 6331-04-0

Catalog:	BB032095
Product Name:	2,4-Dimethylphenylacetic Acid
CAS:	6331-04-0
Synonyms:	2-(2,4-dimethylphenyl)acetic acid; 2-(2,4-dimethylphenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(2,4-dimethylphenyl)acetic acid
Description:	2,4-Dimethylphenylacetic Acid (CAS# 6331-04-0) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=CC(=C(C=C1)CC(=O)O)C
InChI:	InChI=1S/C10H12O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:	MWBXCWLRASBZFB-UHFFFAOYSA-N
Boiling Point:	295.1 °C at 760 mmHg
Density:	1.098 g/cm³
Appearance:	Powder
MDL:	MFCD00014369
LogP:	1.93050

Publication Number	Title	Priority Date
WO-2021072156-A1	Oral complement factor d inhibitors	20191009
US-2020179383-A1	Phenyl derivatives as pge2 receptor modulators	20170518
US-2021113559-A1	Pyrimidine derivatives as pge2 receptor modulators	20170518
EP-3455220-A1	Modulators of indoleamine 2,3-dioxygenase	20160512
US-2019119223-A1	Modulators of indoleamine 2,3-dioxygenase	20160512

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3