Hexyl 2-ethylhexyl phthalate

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Catalog Number
ACM75673164-1
Product Name
Hexyl 2-ethylhexyl phthalate
Structure
Structure
CAS
75673-16-4
Category
Heterocyclic Organic Compound
Synonyms
2-Ethylhexyl hexyl phthalate
IUPAC Name
2-O-(2-Ethylhexyl) 1-O-hexyl benzene-1,2-dicarboxylate
Molecular Weight
362.5
Molecular Formula
C22H34O4
Canonical SMILES
CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C22H34O4/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
InChI Key
BZGXQJVPKYXMDX-UHFFFAOYSA-N
Boiling Point
379.9±10.0 °C
Density
0.996±0.06 g/cm3
Complexity
394
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
362.24570956
Formal Charge
0
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
362.24570956
Rotatable Bond Count
15
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
1
Undefined Bond Stereocenter Count
0
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