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Bis(2，6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite - AR, high purity , CAS No.80693-00-1

COA

Grade & Purity:

Cas Number: 80693-00-1
Molecular Weight: 632.76
PubChem CID: 3601357

In stock

Item Number

B708760

Grouped product items
SKU	Size	Availability	Price
B708760-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
B708760-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$388.90
B708760-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$975.90
B708760-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,439.90

Basic Description

Specifications & Purity	AR
Grade	AR

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Phenoxy compounds Toluenes Organic phosphites Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpropane - Phenoxy compound - Toluene - 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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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

IUPAC Name	3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
INCHI	InChI=1S/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-36-19-35(20-37-42)21-38-43(39-22-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3
InChIKey	SSADPHQCUURWSW-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4C(C)(C)C)C)C(C)(C)C)C(C)(C)C
Isomeric SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4C(C)(C)C)C)C(C)(C)C)C(C)(C)C
PubChem CID	3601357
Molecular Weight	632.76

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	632.700 g/mol
XLogP3	10.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	632.34 Da
Monoisotopic Mass	632.34 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	774.000
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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