USD $6.00-10.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
【name】
1,2,3-propanetricarboxylicacid, 1,2,3-tris(2-ethylhexyl) ester
【iupac name】
tris(2-ethylhexyl) propane-1,2,3-tricarboxylate
【cas registry number】
5400-99-7
【synonyms】
1,2,3-propanetricarboxylicacid, tris(2-ethylhexyl) ester (9ci)
tricarballylic acid, tris(2-ethylhexyl)ester (5ci)
nsc 2417
tris(2-ethylhexyl) 1,2,3-propanetricarboxylate
【molecular formula】
c30h56 o6 (products with the same molecular formula)
【molecular weight】
512.762
【inchi】
inchi=1/c30h56o6/c1-7-13-16-24(10-4)21-34-28(31)19-27(30(33)36-23-26(12-6)18-15-9-3)20-29(32)35-22-25(11-5)17-14-8-2/h24-27h,7-23h2,1-6h3
【canonical smiles】
ccccc(cc)coc(=o)cc(cc(=o)occ(cc)cccc)c(=o)occ(cc)cccc
chemical and physical properties
【density】
0.957g/cm3
【boiling point】
552.8°c at 760 mmhg
【refractive index】
1.458
【flash point】
225.7°c
【computed properties】
molecular weight:512.76204 [g/mol]
molecular formula:c30h56o6
xlogp3-aa:9.1
h-bond donor:0
h-bond acceptor:6
rotatable bond count:26
exact mass:512.40769
monoisotopic mass:512.40769
topological polar surface area:78.9
heavy atom count:36
formal charge:0
complexity:542
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:3
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1