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Dodecyl diphenyl phosphate

CAT: 0572-TRC-A575133-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575133-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27460-02-2
Synonyms
Diphenyl lauryl phosphate; Dodecyl diphenyl phosphate
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2
Molecular Formula
C24 H35 O4 P
Molecular Weight
418.506
InChI
InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3
Additionnal Information
IUPAC name: dodecyl diphenyl phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phosphoric acid, dodecyl diphenyl ester
CAS Number27460-02-2
PubChem CID117982
IUPAC Namedodecyl diphenyl phosphate
Molecular FormulaC24H35O4P
Molecular Weight418.5
XLogP8.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count29
Formal Charge0
Complexity407
SMILES
CCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3
InChIKey
DLZXXNAEQGRWPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphoric acid, dodecyl diphenyl ester
CAS: 27460-02-2
CID: 117982
Formula: C24H35O4P
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass418.22729659
Monoisotopic Mass418.22729659
Topological Polar Surface Area44.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W549227-01Butyl diphenyl phosphate
HY-W008151R-01Diphenyl Phosphate (Standard)
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