Home Other Building Blocks Hexanal, 2-ethyl-

Hexanal, 2-ethyl-

CAS No.:
123-05-7
Catalog Number:
AG000JWP
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
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Product Description
Catalog Number:
AG000JWP
Chemical Name:
Hexanal, 2-ethyl-
CAS Number:
123-05-7
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00006987
IUPAC Name:
2-ethylhexanal
InChI:
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
InChI Key:
LGYNIFWIKSEESD-UHFFFAOYSA-N
SMILES:
CCCCC(C=O)CC
EC Number:
204-596-5
NSC Number:
42871
RTECS Number:
MN7525000
UN Number:
1191
Properties
Complexity:
69  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Effects of di-(2-ethylhexyl) phthalate and four of its metabolites on steroidogenesis in MA-10 cells. Ecotoxicology and environmental safety 20120501
Effect of ultrasonication and Fenton oxidation on biodegradation of bis(2-ethylhexyl) phthalate (DEHP) in wastewater sludge. Chemosphere 20110201
Detection of volatile indicators of illicit substances by the olfactory receptors of Drosophila melanogaster. Chemical senses 20100901
The involvement of lipid peroxide-derived aldehydes in aluminum toxicity of tobacco roots. Plant physiology 20100301
A liquid chromatographic method optimization for the assessment of low and high molar mass carbonyl compounds in wines. Journal of separation science 20091001
Absorption and biodegradation of hydrophobic volatile organic compounds: determination of Henry's constants and biodegradation levels. Water science and technology : a journal of the International Association on Water Pollution Research 20090101
E-2-ethylhexenal, E-2-ethyl-2-hexenol, mellein, and 4-hydroxymellein in Camponotus species from Brunei. Journal of chemical ecology 20080201
Plasticizers and their degradation products in the process streams of a large urban physicochemical sewage treatment plant. Water research 20080101
Plasticizers and related toxic degradation products in wastewater sludges. Water science and technology : a journal of the International Association on Water Pollution Research 20080101
PPARalpha- and DEHP-Induced Cancers. PPAR research 20080101
Continuous catalytic 'one-pot' multi-step synthesis of 2-ethylhexanal from crotonaldehyde. Chemical communications (Cambridge, England) 20070914
Metabolites from the biodegradation of di-ester plasticizers by Rhodococcus rhodochrous. The Science of the total environment 20060731
Unfunctionalized, alpha-epimerizable nonracemic ketones and aldehydes can be accessed by crystallization-induced dynamic resolution of imines. Journal of the American Chemical Society 20030319
Properties