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Merck
CN

W520802

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:
1191-08-8
Molecular Weight:
122.25
Beilstein:
1697080
EC Number:
214-728-3
MDL number:
MFCD00004906
UNSPSC Code:
12164502
PubChem Substance ID:
24902088
Flavis number:
12.103
NACRES:
NA.21
Organoleptic:
meaty; sulfurous
Grade:
FG
Halal
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

300
400

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 Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3043
SHBS5577
SHBR3866
SHBL3099
MKCG0668

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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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