2-Ethylhexyl sulfanylacetate

Basic Information

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CAS Number

7659-86-1

Molecular Formula

C10H20O2S

Molecular Weight

204.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-31 C

Boiling Point

255-260 °C

Density

0.972 g/mL at 20 °C

Solubility

4.73mg/l

Refractive Index

n20/D 1.461

SMILES

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CCCCC(CC)COC(=O)CS

InChI

InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3

InChIKey

OWHSTLLOZWTNTQ-UHFFFAOYSA-N

LogP

2.6758000000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

137

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

NCGC00164377-01
MFCD00022081
7659-86-1
2-ethylhexyl 2-sulfanylacetate
Thioglykolsaeure-2-aethylhexyl ester
F71198
DTXCID807656
2-ethylhexyl 2-mercaptoacetate
2-Ethylhexyl thioglycolate
EINECS 231-626-4
Thioglycolic Acid Octyl Ester
A821486
T0612
X6P51ASB6H
Thioglycolic acid 2-ethylhexyl ester
NCGC00164377-02
LS-13895
DTXSID4027656
Acetic acid, 2-mercapto-, 2-ethylhexyl ester
FT-0653851
Tox21_303486
2-EHTG
OWHSTLLOZWTNTQ-UHFFFAOYSA-
CAS-7659-86-1
UNII-X6P51ASB6H
2-Ethylhexyl sulfanylacetate #
FT-0656981
AKOS000120360
2-Ethylhexyl thioglycolate, >=95.0% (GC)
EC 231-626-4
2-ethylhexyl 2-sulfanylethanoate

MDL Number

MFCD00022081

Customs Code

2930909090

FAQ

What is 2-Ethylhexyl sulfanylacetate (CAS: 7659-86-1)?

2-Ethylhexyl sulfanylacetate, with the CAS number 7659-86-1, is an organosulfur compound that contains a sulfanyl group attached to an acetic acid molecule. It is a colorless liquid with a mild odor, and it exhibits moderate solubility in organic solvents. This compound is known for its stability under normal conditions and is commonly used in various chemical applications due to its functional groups and reactivity properties.

What are the main uses of 2-Ethylhexyl sulfanylacetate (CAS: 7659-86-1)?

2-Ethylhexyl sulfanylacetate is primarily used in the synthesis of other chemicals, including pharmaceutical intermediates and specialty solvents. It finds applications in the fragrance and flavor industry as a solvent and stabilizer. Additionally, it is used in research settings for its reactivity and in industrial processes for its utility in chemical reactions and formulations.

Is 2-Ethylhexyl sulfanylacetate (CAS: 7659-86-1) safe?

2-Ethylhexyl sulfanylacetate is generally considered safe when handled properly, but it should be used with caution. It may cause skin and eye irritation, and prolonged exposure could lead to adverse effects. Safety standards recommend using protective gloves, goggles, and ventilation. Always follow established safety protocols and consult safety data sheets for detailed handling instructions.

How should 2-Ethylhexyl sulfanylacetate (CAS: 7659-86-1) be stored?

2-Ethylhexyl sulfanylacetate should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed, airtight container to prevent moisture absorption and contamination. Storage temperature should be maintained below 25°C, and humidity levels should be controlled to ensure stability and prolong shelf life.