Phosphoric Acid Dioctyl Ester

CAT: 0024-sc-477471Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477471Size:500 mg

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CAS Number

3115-39-7

Chemical Information

Di-n-octyl phosphate

CAS Number	3115-39-7
PubChem CID	76563
IUPAC Name	dioctyl hydrogen phosphate
Molecular Formula	C16H35O4P
Molecular Weight	322.42
XLogP	5.8
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	237

SMILES

CCCCCCCCOP(=O)(O)OCCCCCCCC

InChI

InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey

HTDKEJXHILZNPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3115-39-7

CID: 76563

Formula: C16H35O4P

MW: 322.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.42
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	322.22729659
Monoisotopic Mass	322.22729659
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-478693	Phosphoric Acid Diethyl Ester
sc-478693A	Phosphoric Acid Diethyl Ester
sc-478693B	Phosphoric Acid Diethyl Ester
sc-477482	Phosphoric Acid Triheptyl Ester
sc-477438	Phosphoric Acid Trinonyl Ester
sc-478911	Phosphoric Acid Trisdecyl Ester
sc-477449	Phosphoric Acid Diethyl Octyl Ester
sc-477504	Phosphoric Acid Dibenzyl Ester Silver Salt
sc-215713A	Phosphoric acid
sc-215713	Phosphoric acid

Catalog	Name
TRC-P359440-500MG	Phosphoric Acid Dioctyl Ester
OR1051770-01	Phosphoric acid, dioctyl ester
462518-01	Phosphoric Acid Dioctyl Ester discontinued
BAA56042-01	Phosphoric acid dioctyl ester sodium
P359425	Phosphoric Acid Dioctyl Ester Sodium Salt
TRC-P359420-1G	Phosphoric Acid Dioctyl Ester Potassium Salt
019645	Phosphoric Acid Dibenzyl Ester
462516-01	Phosphoric Acid Diethyl Ester
CS-T-83941	Phosphoric Acid Tributyl Ester
462533-01	Phosphoric Acid Trisdecyl Ester