Skip to the beginning of the images gallery

Di-tert-octyl Disulfide - >75.0%(GC), high purity , CAS No.29956-99-8

COA

Grade & Purity:

≥75%(GC)

Cas Number: 29956-99-8
Molecular Weight: 290.57
MDL number: MFCD00048262
PubChem CID: 121601

In stock

Item Number

D154908

Grouped product items
SKU	Size	Availability	Price	Qty
D154908-1ml	1ml	2	$9.90
D154908-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90

View related series

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

Basic Description

Synonyms	DTXSID50184061 \| 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane \| D0858 \| tert-Octyl Disulfide \| AKOS025295083 \| MFCD00048262 \| EINECS 249-974-0 \| SCHEMBL987315 \| Bis(1,1,3,3-tetramethylbutyl) Disulfide \| 2,2,4-Trimethyl-4-[(1,1,3,3-tetra
Specifications & Purity	≥75%(GC)
Storage Temp	Room temperature
Shipped In	Normal

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	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	2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane
INCHI	InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKey	ZIMCZOLRXKPXLN-UHFFFAOYSA-N
Smiles	CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
Isomeric SMILES	CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
Molecular Weight	290.57
Reaxy-Rn	15861101
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15861101&ln=

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.

4 results found

Lot Number	Certificate Type	Date	Item
C2526359	Certificate of Analysis	Feb 14, 2025	D154908
C2526300	Certificate of Analysis	Feb 14, 2025	D154908
C2526316	Certificate of Analysis	Feb 14, 2025	D154908
E2422255	Certificate of Analysis	Apr 17, 2024	D154908

Chemical and Physical Properties

Refractive Index	1.5
Flash Point(°C)	69 °C
Molecular Weight	290.600 g/mol
XLogP3	6.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	290.21 Da
Monoisotopic Mass	290.21 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	223.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration