4-Butylbenzaldehyde - CAS 1200-14-2

Name: 4-Butylbenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004700
Product Name:	4-Butylbenzaldehyde
CAS:	1200-14-2
Synonyms:	4-butylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-butylbenzaldehyde
Description:	4-Butylbenzaldehyde (CAS# 1200-14-2) is a useful research chemical.
Molecular Weight:	162.23
Molecular Formula:	C11H14O
Canonical SMILES:	CCCCC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
InChI Key:	ARIREUPIXAKDAY-UHFFFAOYSA-N
Boiling Point:	250 °C
Purity:	> 95.0 % (GC)
Density:	0.97 g/cm³
Appearance:	Colorless liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00040751
LogP:	2.84170

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111606823-A	Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder	20200624
CN-111253236-A	Preparation method of high-quality para-lilial	20200310
JP-2021097147-A	Thermoelectric conversion material, its processing method and thermoelectric conversion element	20191218
WO-2021054459-A1	Benzotriazole compound, light absorber, and resin composition	20190918
CN-110085879-A	A kind of Co9S8/ sulphur nitrogen is co-doped with carbon composite and preparation method thereof	20190522

PMID	Publication Date	Title	Journal
17258462	20070301	3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors	Bioorganic & medicinal chemistry
15008513	20031201	Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes	Journal of enzyme inhibition and medicinal chemistry

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.104465066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2