4-(p-Tolyl)butanoic Acid - CAS 4521-22-6

Name: 4-(p-Tolyl)butanoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025789
Product Name:	4-(p-Tolyl)butanoic Acid
CAS:	4521-22-6
Synonyms:	4-(4-methylphenyl)butanoic acid; 4-(4-methylphenyl)butanoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(4-methylphenyl)butanoic acid
Description:	4-(p-Tolyl)butanoic Acid (CAS# 4521-22-6) is a useful research chemical.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CC1=CC=C(C=C1)CCCC(=O)O
InChI:	InChI=1S/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChI Key:	IXWOVMRDYFFXGI-UHFFFAOYSA-N
Boiling Point:	150 °C / 1 mmHg
Density:	1.072 g/cm³
MDL:	MFCD00021786
LogP:	2.40230

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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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112062691-A	Citral phenylbutyrate oxime ester compound and synthesis method and application thereof	20200618
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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8