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Key Documents

W425800

Sigma-Aldrich

Ethanethiol

≥97%

Synonym(s):

Ethyl mercaptan, Mercaptan C2

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About This Item

Linear Formula:
C2H5SH
CAS Number:
Molecular Weight:
62.13
FEMA Number:
4258
Beilstein:
773638
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.017
NACRES:
NA.21

biological source

synthetic

grade

Halal

reg. compliance

FDA 21 CFR 117

vapor density

2.1 (vs air)

vapor pressure

8.51 psi ( 20 °C)

Assay

≥97%

autoignition temp.

570 °F

expl. lim.

18.2 %

refractive index

n20/D 1.4306 (lit.)

bp

35 °C (lit.)

density

0.839 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fruity; sulfurous

storage temp.

2-8°C

SMILES string

CCS

InChI

1S/C2H6S/c1-2-3/h3H,2H2,1H3

InChI key

DNJIEGIFACGWOD-UHFFFAOYSA-N

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Disclaimer

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-49.0 °F - closed cup

Flash Point(C)

-45 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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R Hanczkó et al.
Journal of chromatography. A, 1163(1-2), 25-42 (2007-07-04)
The main aims of this work were (a) to present the characteristics and stability of the o-phthalaldehyde (OPA)-ethanethiol (ET) derivatives of 22 amino acids, including the believed-to-be less stable OPA derivatives providing glycine, gamma-aminobutyric acid, beta-alanine, histidine, ornithine, lysine and
Peter d'Abbs et al.
Substance use & misuse, 46 Suppl 1, 99-106 (2011-06-03)
Inhalation of petrol (gasoline) fumes has been prevalent in some Australian Indigenous communities since World War II, and has led to a continuing quest for an effective method of preventing the practice either by modifying the substance or by substituting
Jiangyao Chen et al.
Journal of hazardous materials, 190(1-3), 416-423 (2011-04-20)
A series of adsorptive photocatalysts, combined titania-montmorillonite-silica were synthesized. The resultant photocatalysts consisted of more and more spherically agglomerated TiO(2) particles with increasing of TiO(2) content, and anatase was the only crystalline phase with nano-scale TiO(2) particles. With increasing of
Edmanuel Torres et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 12(5), 999-1009 (2011-03-12)
The translational and orientational potential energy surfaces (PESs) of n-alkanethiols with up to four carbon atoms are studied for (√(3)×√(3))R30° self-assembled monolayers (SAMs). The PESs indicate that methanethiol may form SAM structures that are not accessible for long-chain thiols. The
Natalie J Galant et al.
The journal of physical chemistry. A, 113(32), 9138-9149 (2009-09-02)
First principle quantum molecular computations have been carried out at the B3LYP/6-31G(d,p) and G3MP2B3 levels of theory on ethyl mercaptan and diethyl disulfide to study their full conformational space. The consequences of molecular axis chirality for the potential energy hypersurface

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