1-(Methylsulfanyl)dodecane

About 1-(Methylsulfanyl)dodecane

1-(Methylsulfanyl)dodecane is a process intermediate or related compound of Cyproconazole carrying the CAS registry number 3698-89-3. Its molecular formula is C13H28S and its molecular weight is 216.43 g/mol. Common synonyms include Dodecyl Methyl Sulfide and 2-Thiatetradecane.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Cyproconazole, tracking process-related impurities and validating analytical methods. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 1-(Methylsulfanyl)dodecane is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development
Fine chemical synthesis

Industries

Related to Cyproconazole

View every impurity, metabolite and intermediate we list for Cyproconazole.

Cyproconazole impurities

Specifications & identifiers

Chemical identifiers
Product name	1-(Methylsulfanyl)dodecane
Catalogue No.	VQ-039295
CAS Number	3698-89-3
IUPAC name	1-methylsulfanyldodecane
Molecular formula	C₁₃H₂₈S
Molecular weight	216.43 g/mol
Exact mass	216.1912
InChIKey	KJWHJDGMOQJLGF-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCSC
PubChem CID	77287

Physical properties
Physical form	Solid
LogP (XLogP3)	6.5
H-bond donors / acceptors	0 / 1
TPSA	25.3 Å²
Synonyms	Dodecyl Methyl Sulfide, 2-Thiatetradecane, Methylthiododecane, Methyl lauryl sulfide, Dodecane, 1-(methylthio)-, Dodecyl methyl sulphide, 1-(Methylthio)dodecane, Sulfide, dodecyl methyl, Methyl n-dodecyl sulfide, 1-Methylthiododecane, Sulfide, dodecyl methyl (8CI), dodecyl(methyl)sulfane

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Health hazard

Environmental hazard

Signal word: Danger

Hazard statements

H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
H413May cause long lasting harmful effects to aquatic life

Precautionary statements: P261, P264, P264 + P265, P272, P273, P280, P301 + P316, P302 + P352, P305 + P354 + P338, P317, P321, P331, P332 + P317, P333 + P317, P362 + P364, P391, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 1-(Methylsulfanyl)dodecane?

The CAS Registry Number of 1-(Methylsulfanyl)dodecane is 3698-89-3. It is also known as Dodecyl Methyl Sulfide, 2-Thiatetradecane, Methylthiododecane.

What is the molecular formula and molecular weight of 1-(Methylsulfanyl)dodecane?

1-(Methylsulfanyl)dodecane has the molecular formula C13H28S and a molecular weight of 216.43 g/mol. Its IUPAC name is 1-methylsulfanyldodecane.

What is 1-(Methylsulfanyl)dodecane used for?

1-(Methylsulfanyl)dodecane is supplied as a characterised reference material related to Cyproconazole. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 1-(Methylsulfanyl)dodecane can I order?

We supply 1-(Methylsulfanyl)dodecane, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 1-(Methylsulfanyl)dodecane?

Yes. Every lot of 1-(Methylsulfanyl)dodecane is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 1-(Methylsulfanyl)dodecane be shipped internationally?

Yes. 1-(Methylsulfanyl)dodecane is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.