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rac-1,2-Distearoyl-3-chloropropanediol - 98%, high purity , CAS No.72468-92-9

COA

Grade & Purity:

≥98%

Cas Number: 72468-92-9
Molecular Weight: 643.46
PubChem CID: 254746
PubChem SID: 504758146

In stock

Item Number

R345107

Grouped product items
SKU	Size	Availability	Price
R345107-25mg	25mg	3	$178.90
R345107-50mg	50mg	2	$321.90
R345107-100mg	100mg	2	$578.90

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Other Lipid (133)

Basic Description

Synonyms	3-chloropropane-1,2-diyl dioctadecanoate \| FT-0667716 \| DTXSID40291955 \| (3-chloro-2-octadecanoyloxypropyl) octadecanoate \| Octadecanoic acid,1,1'-[1-(chloromethyl)-1,2-ethanediyl] ester \| NSC79288 \| NSC-79288 \| AKOS030242888 \| 3-Chloro-1,2-propanediol Di
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters
      - Level5 Chloropropanol esters
        Level6 3-MCPD diesters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Chloropropanol esters
Direct Parent	3-MCPD diesters
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	3-mcpd-diester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 3-mcpd diesters. These are compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified at the C1 and C3 terminal carbon atoms.
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	504758146
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758146
IUPAC Name	(3-chloro-2-octadecanoyloxypropyl) octadecanoate
INCHI	InChI=1S/C39H75ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKey	YLTQZUQMHKFAHD-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC
PubChem CID	254746
Molecular Weight	643.46

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
B2320631	Certificate of Analysis	Jan 11, 2023	R345107
B2320622	Certificate of Analysis	Jan 11, 2023	R345107
B2320627	Certificate of Analysis	Jan 11, 2023	R345107

Chemical and Physical Properties

Solubility	Soluble in chloroform, and ethyl acetate.
Refractive Index	n20D1.47 (Predicted)
Boil Point(°C)	~665.4° C at 760 mmHg (Predicted)
Melt Point(°C)	53-55° C
Molecular Weight	643.500 g/mol
XLogP3	17.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	38
Exact Mass	642.535 Da
Monoisotopic Mass	642.535 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	597.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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