Home Other Building Blocks 2,4-Hexadienal

2,4-Hexadienal

CAS No.:
142-83-6
Catalog Number:
AG001HJC
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$40
- +
25g
95%
In Stock USA
United States
$110
- +
100g
97%
In Stock USA
United States
$248
- +
Product Description
Catalog Number:
AG001HJC
Chemical Name:
2,4-Hexadienal
CAS Number:
142-83-6
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD00007004
IUPAC Name:
(2E,4E)-hexa-2,4-dienal
InChI:
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
InChI Key:
BATOPAZDIZEVQF-MQQKCMAXSA-N
SMILES:
C/C=C/C=C/C=O
UNII:
878K4I6N7T
FEMA Number:
3429
Properties
Complexity:
90.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study. Toxicology in vitro : an international journal published in association with BIBRA 20160401
Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study. Environmental health perspectives 20150501
Chemicals inducing acute irritant contact dermatitis mobilize intracellular calcium in human keratinocytes. Toxicology in vitro : an international journal published in association with BIBRA 20130201
exo-Selective asymmetric Diels-Alder reaction of 2,4-dienals and nitroalkenes by trienamine catalysis. Angewandte Chemie (International ed. in English) 20110905
Human aldo-keto reductases 1B1 and 1B10: a comparative study on their enzyme activity toward electrophilic carbonyl compounds. Chemico-biological interactions 20110530
Characterization of Taenia solium cysticerci microsomal glutathione S-transferase activity. Parasitology research 20071001
The atmospheric photolysis of E-2-hexenal, Z-3-hexenal and E,E-2,4-hexadienal. Physical chemistry chemical physics : PCCP 20061128
Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities. Journal of agricultural and food chemistry 20040225
NTP toxicology and carcinogensis Studies of 2,4-hexadienal (89% trans,trans isomer, CAS No. 142-83-6; 11% cis,trans isomer) (Gavage Studies). National Toxicology Program technical report series 20031001
Forestomach tumor induction by 2,4-hexadienal in F344N rats and B6C3F1 mice. Archives of toxicology 20030901
Alpha,beta-unsaturated carbonyl compounds: induction of oxidative DNA damage in mammalian cells. Mutagenesis 20030901
Short term feeding of hexadienal to postnatal rats: effects on stomach aldehyde dehydrogenase. Toxicology letters 20030113
Glutathione S-transferase pi expression in forestomach carcinogenesis process induced by gavage-administered 2,4-hexadienal in the F344 rat. Archives of toxicology 20011201
Structural and kinetic determinants of aldehyde reduction by aldose reductase. Biochemistry 19990105
Properties