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Key Documents

Safety Information

W520802

Sigma-Aldrich

1,4-Butanedithiol

≥97%, FG

Synonym(s):

1,4-Dimercaptobutane, Tetramethylene dimercaptan

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About This Item

Linear Formula:
HS(CH2)4SH
CAS Number:
Molecular Weight:
122.25
Beilstein:
1697080
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.103
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥97%

refractive index

n20/D 1.529 (lit.)

bp

105-106 °C/30 mmHg (lit.)

density

1.042 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

meaty; sulfurous

SMILES string

[K+].[K+].[O-]S([O-])=O

InChI

1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2

InChI key

SMTOKHQOVJRXLK-UHFFFAOYSA-N

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General description

1,4-Butanedithiol, an alkanedithiol, is a food odorant. Its odor threshold is similar to its other homologs (propane-1,3-dithiol and pentane-1,5-dithiol).

Application


  • Hydroxyapatite nanoparticle-modified porous bone grafts with improved cell attachment.: This study demonstrates the application of 1,4-butanedithiol in modifying hydroxyapatite nanoparticles to enhance cell attachment on porous bone grafts, presenting significant implications for biomedical engineering and regenerative medicine (Dhavalikar et al., 2023).

  • Engineering Toolbox for Systematic Design of PolyHIPE Architecture.: This paper explores the role of 1,4-butanedithiol in the systematic design of polymer architectures, offering insights into materials science that could influence various industrial applications (Dhavalikar et al., 2021).

  • Thiol-ene miniemulsion polymerization of a biobased monomer for biomedical applications.: The study utilizes 1,4-butanedithiol in thiol-ene miniemulsion polymerization, aiming at creating biocompatible polymers for biomedical applications, thus advancing the field of biomaterials (Machado et al., 2017).

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W520802-3KG:
W520802-SAMPLE:
W520802-25G:
W520802-1KG:
W520802-BULK:
W520802-VAR:
W520802-100G:


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Structure-Odor Correlations in Homologous Series of Alkanethiols and Attempts To Predict Odor Thresholds by 3D-QSAR Studies
Polster J and Schieberle P
Journal of Agricultural and Food Chemistry, 63(5), 1419-1432 (2015)

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