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Home Other Building Blocks 2-Ethyl-1,3-Hexanediol

2-Ethyl-1,3-Hexanediol

CAS No.:
94-96-2
Catalog Number:
AG0033AK
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$131
- +
5g
1 week
United States
$278
- +
10g
1 week
United States
$475
- +
Product Description
Catalog Number:
AG0033AK
Chemical Name:
2-Ethyl-1,3-Hexanediol
CAS Number:
94-96-2
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00004578
IUPAC Name:
2-ethylhexane-1,3-diol
InChI:
InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
InChI Key:
RWLALWYNXFYRGW-UHFFFAOYSA-N
SMILES:
CCCC(C(CO)CC)O
EC Number:
202-377-9
NSC Number:
3881
Properties
Complexity:
73.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Molecular determinants of ligand selectivity for the human multidrug and toxin extruder proteins MATE1 and MATE2-K. The Journal of pharmacology and experimental therapeutics 20120601
Reduction of misleading ('false') positive results in mammalian cell genotoxicity assays. I. Choice of cell type. Mutation research 20120218
Effective insect repellent formulation in both surfactantless and classical microemulsions with a long-lasting protection for human beings. Chemistry & biodiversity 20090601
Intralaboratory and interlaboratory evaluation of the EpiDerm 3D human reconstructed skin micronucleus (RSMN) assay. Mutation research 20090317
[Resolution of clenbuterol hydrochloride enantiomers by thin-layer chromatography on silica gel impregnated with beta-cyclodextrin]. Se pu = Chinese journal of chromatography 20050701
2-Ethyl-1,3-hexanediol. Journal of applied toxicology : JAT 20050101
Metal-catalyzed oxidation of human growth hormone: modulation by solvent-induced changes of protein conformation. Journal of pharmaceutical sciences 20010101
Properties