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Di-tert-dodecyl Disulfide (mixture of isomers) , CAS No.27458-90-8

COA

Cas Number: 27458-90-8
Molecular Weight: 402.78
MDL number: MFCD00059944
PubChem CID: 117981

In stock

Item Number

D405562

Grouped product items
SKU	Size	Availability	Price	Qty
D405562-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
D405562-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$789.90

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Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	A819904 \| D0447 \| 2-Methyl-2-[(2-methylundecan-2-yl)disulphanyl]undecane \| DTXSID8067313 \| SCHEMBL728106 \| Di-tert-dodecyl disulphide \| MFCD00059944 \| 2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane \| Q27157647 \| Disulfide, di-tert-dodecyl \| FT-0747
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Organic disulfides
    - Subclass Dialkyldisulfides

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Organic disulfides
Subclass	Dialkyldisulfides
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyldisulfides
Alternative Parents	Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyldisulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
External Descriptors	organic disulfide
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	2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane
INCHI	InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKey	LEDIWWJKWAMGLD-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC
Isomeric SMILES	CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC
Molecular Weight	402.78
Reaxy-Rn	9154795
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9154795&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solubility in water: Practically insoluble
Sensitivity	Moisture Sensitive
Refractive Index	1.49
Flash Point(°C)	118 °C
Boil Point(°C)	321 °C
Molecular Weight	402.800 g/mol
XLogP3	11.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Exact Mass	402.335 Da
Monoisotopic Mass	402.335 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	267.000
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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