n-Octyl Sulfide - ≥97%(GC) , CAS No.2690-08-6

CAS: 2690-08-6 Cat. No.: N159273 Molecular Weight: 258.51 Beilstein Registry Number: 1419 EC Number: 220-259-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%(GC)
Synonyms
NSC65459 | NSC-65459 | SCHEMBL23901 | AKOS015897571 | Q27282471 | Dioctyl sulfide, 96% | (n-C8H17)2S | D91800 | 1-(1-Octylthio)octane | Di-n-octyl sulfide | Dioctyl sulfide | 1invertedexclamationmark-thiobis-octan | DIOCTYLSULFANE | Octane,1'-thiobis- | B
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10g
N159273-10g
1

$9.90

$14.90
Save $5.00 (33.56%)
25g
N159273-25g
2

$14.90

$22.90
Save $8.00 (34.93%)
100g
N159273-100g
2

$32.90

$49.90
Save $17.00 (34.07%)
500g
N159273-500g
1

$100.90

$151.90
Save $51.00 (33.57%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
NSC65459 | NSC-65459 | SCHEMBL23901 | AKOS015897571 | Q27282471 | Dioctyl sulfide, 96% | (n-C8H17)2S | D91800 | 1-(1-Octylthio)octane | Di-n-octyl sulfide | Dioctyl sulfide | 1invertedexclamationmark-thiobis-octan | DIOCTYLSULFANE | Octane, 1'-thiobis- | B
Specifications & Purity
≥97%(GC)
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%(GC)
Names and Identifiers
Canonical SmilesCCCCCCCCSCCCCCCCC
IUPAC Name1-octylsulfanyloctane
InChIKeyLOXRGHGHQYWXJK-UHFFFAOYSA-N
INCHI1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
Isomeric SMILES CCCCCCCCSCCCCCCCC
Molecular Weight 258.51
Beilstein 1419
Reaxy-Rn 1701624
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701624&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThioethers
SubclassDialkylthioethers
Intermediate Tree Nodes Not available
Direct ParentDialkylthioethers
Alternative Parents Sulfenyl compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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 NumberCertificate TypeDateItem
F2221141Certificate of AnalysisApr 02, 2026 N159273
F2221142Certificate of AnalysisApr 02, 2026 N159273
F2221143Certificate of AnalysisApr 02, 2026 N159273
K1921065Certificate of AnalysisSep 08, 2023 N159273
Chemical and Physical Properties
SolubilitySolubility in water, 0.004678 mg/L @ 25°C (est)
Sensitivityair sensitive
Refractive Index1.462
Flash Point(°F)160°C
Flash Point(°C)160°C
Boil Point(°C)180 °C/10 mmHg
Melt Point(°C)0-1°C
Molecular Weight258.500 g/mol
XLogP37.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass258.238 Da
Monoisotopic Mass258.238 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity109.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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