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4-Butylbenzaldehyde Diethyl Acetal - >97.0%(GC), high purity , CAS No.83803-80-9
Basic Description
Synonyms
1-Butyl-4-(diethoxymethyl)benzene # | B1222 | Benzene, 1-butyl-4-(diethoxymethyl)- | 4-Butylbenzaldehyde diethyl acetal, technical, 90% | 4-n-Butylbenzaldehyde diethyl acetal | FT-0641924 | 4-Butylbenzaldehyde diethyl acetal | EINECS 280-899-6 | 1-BUTYL-4
Specifications & Purity
≥97%(GC)
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylethers
Intermediate Tree Nodes
Not available
Direct Parent
Benzylethers
Alternative Parents
Acetals Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzylether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504759498
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759498
IUPAC Name
1-butyl-4-(diethoxymethyl)benzene
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
InChIKey
VZIJDIWCWDYVFM-UHFFFAOYSA-N
Smiles
CCCCC1=CC=C(C=C1)C(OCC)OCC
Isomeric SMILES
CCCCC1=CC=C(C=C1)C(OCC)OCC
Molecular Weight
236.36
Reaxy-Rn
5524651
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5524651&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Refractive Index
1.48
Molecular Weight
236.350 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
236.178 Da
Monoisotopic Mass
236.178 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
168.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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H2427101