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Merck

W347809

1-Butanethiol

≥98%

Synonym(s):

Butyl mercaptan, Mercaptan C4

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About This Item

Linear Formula:
CH3(CH2)3SH
CAS Number:
109-79-5
Molecular Weight:
90.19
FEMA Number:
3478
Council of Europe no.:
526
UNSPSC Code:
12164502
PubChem Substance ID:
24901726
Flavis number:
12.010
EC Number:
203-705-3
NACRES:
NA.21
MDL number:
MFCD00004905
Beilstein/REAXYS Number:
1730908
organoleptic:
sulfurous
grade:
Kosher
biological source:
synthetic
agency:
meets purity specifications of JECFA
food allergen:
no known allergens

Product Name

1-Butanethiol, ≥98%

SMILES string

CCCCS

InChI

1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

InChI key

WQAQPCDUOCURKW-UHFFFAOYSA-N

biological source

synthetic

grade

Kosher

agency

meets purity specifications of JECFA

vapor density

3.1 (vs air)

vapor pressure

83 mmHg ( 37.7 °C)

assay

≥98%

refractive index

n20/D 1.443 (lit.)

bp

98 °C (lit.)

mp

−116 °C (lit.)

density

0.842 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

sulfurous

Quality Level

300
400

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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

General description

1-Butanethiol is a volatile sulfur-containing odorous compound that is reported to occur in skunk oil.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

53.6 °F - closed cup

flash_point_c

12 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP8959
SHBP6160
SHBN5939
SHBL9377
SHBL5247

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The history of skunk defensive secretion research.
Wood WF
The Chemical Educator, 4(2), 44-50 (1999)
Nicole W G Smits et al.
Inorganic chemistry, 58(19), 13007-13019 (2019-09-25)
The structure of the copper complex of the 6-((1-butanethiol)oxy)-tris(2-pyridylmethyl)amine ligand (Cu-tmpa-O(CH2)4SH) anchored to a gold surface has been investigated. To enable covalent attachment of the complex to the gold surface, a heteromolecular self-assembled monolayer (SAM) of butanethiol and a thiol-substituted
Bob Muir et al.
Journal of chromatography. A, 1068(2), 315-326 (2005-04-16)
Thermal desorption with gas chromatography-mass spectrometry (TD-GC-MS) remains the technique of choice for analysis of trace concentrations of analytes in air samples. This paper describes the development and application of a method for analysing the vesicant compounds sulfur mustard and
W C Thomas et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 8(2), 170-178 (1987-02-01)
n-Butyl mercaptan (n-BM) is used as a solvent and a chemical intermediate. Pregnant Charles River CD-1 mice and COBS CD rats were randomly assigned to a control group and to three n-BM-exposed groups of 25 rats and 25 mice each.
Huili Zhang et al.
Talanta, 82(2), 733-738 (2010-07-07)
This work proposed a gas sensor for the determination of tert-butyl mercaptan, one of the highly toxic volatile sulfur compounds, which was based on cataluminescence emission during its catalytic oxidation on the surface of nanosized V(2)O(5). The cataluminescence characteristics and
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