4-Butylbenzaldehyde diethyl acetal - CAS 83803-80-9

Catalog:	BB037096
Product Name:	4-Butylbenzaldehyde diethyl acetal
CAS:	83803-80-9
Synonyms:	1-butyl-4-(diethoxymethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-butyl-4-(diethoxymethyl)benzene
Description:	4-Butylbenzaldehyde diethyl acetal (CAS# 83803-80-9) is a useful research chemical.
Molecular Weight:	236.35
Molecular Formula:	C15H24O2
Canonical SMILES:	CCCCC1=CC=C(C=C1)C(OCC)OCC
InChI:	InChI=1S/C15H24O2/c1-4-7-8-13-9-11-14(12-10-13)15(16-5-2)17-6-3/h9-12,15H,4-8H2,1-3H3
InChI Key:	VZIJDIWCWDYVFM-UHFFFAOYSA-N
Boiling Point:	250 °C (lit.)
Density:	1.045 g/cm³
LogP:	4.10080

Publication Number	Title	Priority Date
DE-4327361-A1	Process for the preparation of benzaldehyde dialkyl acetals	19930814
EP-0638665-A1	Process for the preparation of benzaldehyde dialkyl acetals	19930814
EP-0638665-B1	Process for the preparation of benzaldehyde dialkyl acetals	19930814
JP-H0776545-A	Method for producing benzaldehyde dialkyl acetal	19930814
US-5507922-A	Preparation of benzaldehyde dialkyl acetals	19930814

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Oxygen Compounds

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Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.177630004
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.177630004
Rotatable Bond Count:	8
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2