Bis (2-ethylhexyl) phenyl phosphate

CAT: 0926-RAA36897-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-RAA36897-01Size:10 mg

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CAS Number

16368-97-1

MDL Number

MFCD01705702

Smiles

CCCCC (CC) COP (=O) (OCC (CC) CCCC) OC1=CC=CC=C1

Molecular Formula

C22H39O4P

Molecular Weight

398.5 g/mol

Controlled

Chemical Information

Bis(2-ethylhexyl) phenyl phosphate

CAS Number	16368-97-1
PubChem CID	85990
IUPAC Name	bis(2-ethylhexyl) phenyl phosphate
Molecular Formula	C22H39O4P
Molecular Weight	398.5
XLogP	7.2
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Heavy Atom Count	27
Formal Charge	0
Complexity	372

SMILES

CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC1=CC=CC=C1

InChI

InChI=1S/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3

InChIKey

ZXZYMQCBRZBVIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16368-97-1

CID: 85990

Formula: C22H39O4P

MW: 398.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	398.25859672
Monoisotopic Mass	398.25859672
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FE30030-01	Bis (2-Ethylhexyl) phosphate
CAA91557-01	Bis (2-ethylhexyl) succinate
FB62553-01	Bis (2-ethylhexyl) maleate
FB34371-01	Bis (2-Ethylhexyl) sebacate
FB62551-01	Bis (2-ethylhexyl) fumarate
FB62538-01	Bis (2-ethylhexyl) adipate
BAA07003-01	Mono (2-ethylhexyl) phosphate
FB62541-01	Bis (2-ethylhexyl) Azelate, 75%
MEA72495-01	N, N-Bis (2-ethylhexyl) -2-methylpropanamide
FB151980	9,9-Bis (2-ethylhexyl) fluorene-2,7-bis (boronic acidpinacolester)

Catalog	Name
JH642037	Bis (2-ethylhexyl) phenyl phosphate
RG-A263291-01	2-Ethylhexyl (4-Nonylphenyl) Phenyl Phosphate
TYD-04634-01	2-Biphenylyl phenyl phosphate
TRC-B451445-500MG	Bis(2-isopropylphenyl) Phenyl Phosphate
HY-W703900-01	Bis (2-isopropylphenyl) phenyl phosphate
TRC-B451485-1G	Bis(2,4-diisopropylphenyl) Phenyl Phosphate
HY-W588267-01	2- (1-Methylethyl) phenyl diphenyl phosphate
TRC-B451446-50MG	Bis(2-isopropylphenyl) Phenyl Phosphate-d5
TRC-B451487-100MG	Bis(2,4-diisopropylphenyl) Phenyl Phosphate-d5
OR1050985-01	4- (1,2,2-Tris (4- (phosphonooxy) phenyl) vinyl) phenyl dihydrogen phosphate