4-(3,4-Dimethylphenoxy)butanoic acid - CAS 22180-03-6

Catalog:	BB047395
Product Name:	4-(3,4-Dimethylphenoxy)butanoic acid
CAS:	22180-03-6
Synonyms:	4-(3,4-dimethylphenoxy)-butyric acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(3,4-dimethylphenoxy)butanoic acid
Description:	4-(3,4-Dimethylphenoxy)butanoic acid (CAS# 22180-03-6 ) is a useful research chemical.
Molecular Weight:	208.25
Molecular Formula:	C12H16O3
Canonical SMILES:	CC1=C(C=C(C=C1)OCCCC(=O)O)C
InChI:	InChI=1S/C12H16O3/c1-9-5-6-11(8-10(9)2)15-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:	XCDOHVHQWSFAEN-UHFFFAOYSA-N

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Related Functional Groups

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[610-74-2]
2,5-diaminobenzoic acid
[52692-09-8]
2-nitro-4-iodo anisole

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.109944368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5