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3,9-Bis(2,4-dicumylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] - 96%, high purity , CAS No.154862-43-8

COA

Grade & Purity:

≥96%

Cas Number: 154862-43-8
Molecular Weight: 852.97
PubChem CID: 164499
PubChem SID: 488188361

In stock

Item Number

B302992

Grouped product items
SKU	Size	Availability	Price
B302992-25g	25g	3	$15.90
B302992-100g	100g	3	$47.90
B302992-500g	500g	2	$212.90

Basic Description

Synonyms	3 9-BIS(2 4-DICUMYLPHENOXY)-2 4 8 10-TE& \| bis(2,4-dicumylphenyl)pentaerythritol diphosphite \| J-009153 \| PD117902 \| S-9228 \| SCHEMBL233632 \| WBWXVCMXGYSMQA-UHFFFAOYSA-N \| 3,9-Bis(2,4-bis(2-phenylpropan-2-yl)phenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	Diphenylmethanes Phenylpropanes Phenoxy compounds Organic phosphites Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Diphenylmethane - Phenylpropane - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic phosphite - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488188361
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188361
IUPAC Name	3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
INCHI	InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3
InChIKey	WBWXVCMXGYSMQA-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8
Isomeric SMILES	CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8
Molecular Weight	852.97
Reaxy-Rn	11323165
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11323165&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
B2321093	Certificate of Analysis	Nov 02, 2022	B302992
B2321573	Certificate of Analysis	Nov 02, 2022	B302992
B2321689	Certificate of Analysis	Nov 02, 2022	B302992
F2525061	Certificate of Analysis	Nov 02, 2022	B302992
B2321318	Certificate of Analysis	Nov 02, 2022	B302992
B2321322	Certificate of Analysis	Nov 02, 2022	B302992
B2321119	Certificate of Analysis	Nov 02, 2022	B302992

Chemical and Physical Properties

Melt Point(°C)	≥225℃
Molecular Weight	853.000 g/mol
XLogP3	14.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	852.371 Da
Monoisotopic Mass	852.371 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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