4-Propylbenzaldehyde - CAS 28785-06-0

Catalog:	BB019945
Product Name:	4-Propylbenzaldehyde
CAS:	28785-06-0
Synonyms:	4-propylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-propylbenzaldehyde
Description:	4-Propylbenzaldehyde (CAS# 28785-06-0) is a useful reagent for Lewis acid promoted, synthesis of fluoroquinolone clubbed 1,3,4-thiadiazole motifs.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CCCC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
InChI Key:	MAUCRURSQMOFGV-UHFFFAOYSA-N
Boiling Point:	239.9 °C at 760 mmHg
Purity:	95 %
Density:	1.0050 g/mL at 25 °C (lit.)
Appearance:	Colorless liquid
MDL:	MFCD00041870
LogP:	2.45160

Publication Number	Title	Priority Date
JP-2021155726-A	Pigment dispersion	20200327
WO-2021085372-A1	Resin composition, compound (z), optical filter, and use thereof	20191101
US-2021108038-A1	Compositions suitable for use in making polymer compositions	20191015
US-2021108052-A1	Methods for making polymer compositions	20191015
WO-2021076708-A1	Methods for making polymer compositions and compositions suitable for use in the same	20191015

PMID	Publication Date	Title	Journal
22905019	20120801	[2,7-Dimeth-oxy-8-(4-propyl-benzo-yl)naphthalen-1-yl](4-propyl-phen-yl)methanone	Acta crystallographica. Section E, Structure reports online
21375334	20110414	Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction	Journal of medicinal chemistry
15008513	20031201	Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes	Journal of enzyme inhibition and medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3