Butyl sulfide - ≥98% , CAS No.544-40-1

CAS: 544-40-1 Cat. No.: B136661 Molecular Weight: 146.29 Beilstein Registry Number: 1370 EC Number: 208-870-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
NSC 8460 | 5- THIANONANE | NCGC00254887-01 | Q11309564 | AI3-18788 | Dibutyl thioether | MFCD00009468 | N-BUTYL SULFIDE [MI] | Sulfur in di-n-butyl sulfide, NIST(R) SRM(R) 2720 | 1,1'-Thiobisbutane | 1,1'-Thiobis-Butane | n-Butyl-sulfide | BUTANE, 1,1'- T
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
B136661-25ml
3
$10.90
100ml
B136661-100ml
2
$34.90
500ml
B136661-500ml
2
$134.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

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Quality documents

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

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product description:

Butyl sulfide is a volatile sulfur compound that can be used as a flavoring agent.


Application:

Di-n-butyl sulfide is generally used as an agricultural intermediate, a sulfiding agent, a refinery catalyst, a lubricant additive, a gas odorant and a processing aid in mining applications. It finds application as an internal standard in X-ray fluorescence spectrometry (XRF) measurements of sulfur in oils and other liquid hydrocarbon matrices.

Specifications

Synonyms
NSC 8460 | 5- THIANONANE | NCGC00254887-01 | Q11309564 | AI3-18788 | Dibutyl thioether | MFCD00009468 | N-BUTYL SULFIDE [MI] | Sulfur in di-n-butyl sulfide, NIST(R) SRM(R) 2720 | 1, 1'-Thiobisbutane | 1, 1'-Thiobis-Butane | n-Butyl-sulfide | BUTANE, 1, 1'- T
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCCCSCCCC
IUPAC Name1-butylsulfanylbutane
InChIKeyHTIRHQRTDBPHNZ-UHFFFAOYSA-N
INCHI1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
Isomeric SMILES CCCCSCCCC
WGK Germany 2
RTECS ER6417000
Molecular Weight 146.29
Beilstein 1370
Reaxy-Rn 1732829
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732829&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





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.

11 results found

Lot NumberCertificate TypeDateItem
L2206546Certificate of AnalysisJun 09, 2026 B136661
L2206547Certificate of AnalysisJun 09, 2026 B136661
L2206551Certificate of AnalysisJun 09, 2026 B136661
A2207800Certificate of AnalysisJul 15, 2025 B136661
A2207801Certificate of AnalysisJul 15, 2025 B136661
H2304285Certificate of AnalysisMay 12, 2025 B136661
H2304300Certificate of AnalysisMay 12, 2025 B136661
H2304317Certificate of AnalysisMay 12, 2025 B136661
J2115498Certificate of AnalysisJul 07, 2023 B136661
J2115501Certificate of AnalysisJul 07, 2023 B136661
I1923048Certificate of AnalysisMay 06, 2023 B136661

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Chemical and Physical Properties
SolubilitySilghtly miscible with water. Miscible with olive oil and almond oil
Refractive Index1.452
Flash Point(°F)170.6 °F
Flash Point(°C)76°C(lit.)
Boil Point(°C)188-189 °C
Melt Point(°C)−76 °C
Molecular Weight146.300 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass146.113 Da
Monoisotopic Mass146.113 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count9
Formal Charge0
Complexity37.800
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
Citations of This Product
References
1. Jiahao Song, Hao Wu, Kaihu Zhang, Ruirui Liu, Yunfan Yang, Xinyue Zhang, Ahmed Elsherif, Ning Ma, Alaa S. Abd-El-Aziz.  (2025)  Nanoarchitectonics with designed sulfur-based functionalized azobenzene ionic liquids for low-temperature UV light switching systems.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.126880]
Solution Calculators
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