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Pentaerythrityl tetrastearate (mixture) , CAS No.115-83-3

1 Citations

COA

Cas Number: 115-83-3
Molecular Weight: 1202.01
MDL number: MFCD00041922
PubChem CID: 61037
PubChem SID: 488183431

In stock

Item Number

P299126

Grouped product items
SKU	Size	Availability	Price
P299126-25g	25g	7	$14.90
P299126-100g	100g	3	$33.90
P299126-500g	500g	2	$99.90

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Biochemical Assay Reagents (928) Carbonyl compound (2335) Carbonyl Compounds - Carboxylic Acid Esters - Esters_C16+ (1) carboxylic acid (2098)

Basic Description

Synonyms	Pentaerythritol tetrastearate \| [3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate \| DTXSID7026944 \| OCTADECANOIC ACID, 2,2-BIS[[(1-OXOOCTADECYL)OXY]METHYL]-1,3-PROPANEDIYL ESTER \| MFCD00041922 \| RADIASURF 7176 \| EINECS 204-110-1 \| UNI

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Tetracarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tetracarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tetracarboxylic acids and derivatives
Alternative Parents	Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tetracarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
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	488183431
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183431
IUPAC Name	[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate
INCHI	InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
InChIKey	OCKWAZCWKSMKNC-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
PubChem CID	61037
Molecular Weight	1202.01

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

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Analytical Chart:

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15 results found

Lot Number	Certificate Type	Date	Item
A2507129	Certificate of Analysis	Dec 23, 2024	P299126
L2426529	Certificate of Analysis	Dec 23, 2024	P299126
A2207087	Certificate of Analysis	Oct 10, 2024	P299126
A2207094	Certificate of Analysis	Oct 10, 2024	P299126
A2207097	Certificate of Analysis	Oct 10, 2024	P299126
H2419453	Certificate of Analysis	Aug 12, 2024	P299126
E2423399	Certificate of Analysis	May 16, 2024	P299126
A2402204	Certificate of Analysis	Dec 25, 2023	P299126
L2209802	Certificate of Analysis	Dec 02, 2022	P299126
L2209904	Certificate of Analysis	Dec 02, 2022	P299126
L2209800	Certificate of Analysis	Dec 02, 2022	P299126
L2209897	Certificate of Analysis	Dec 02, 2022	P299126
L2209903	Certificate of Analysis	Dec 02, 2022	P299126
L2209803	Certificate of Analysis	Dec 02, 2022	P299126
B2309163	Certificate of Analysis	Dec 23, 2021	P299126

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Chemical and Physical Properties

Melt Point(°C)	66 °C
Molecular Weight	1202.000 g/mol
XLogP3	33.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	76
Exact Mass	1201.12 Da
Monoisotopic Mass	1201.12 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	85
Formal Charge	0
Complexity	1180.000
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

Citations of This Product

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