6-Methylheptyl sulfanylacetate

Basic Information

View in Editor

CAS Number

25103-09-7

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

96°C

Flash Point

133°C

Refractive Index

1.4590 to 1.4640

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

View in Editor

CC(C)CCCCCOC(=O)CS

InChI

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

InChIKey

RZBBHEJLECUBJT-UHFFFAOYSA-N

LogP

2.6758000000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

135

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

6-Methylheptyl sulfanylacetate
SCHEMBL35880
DTXSID20274221
Acetic acid, mercapto-, isooctyl ester
ISOOCTYL ALCOHOL, MERCAPTOACETATE
AKOS024333969
HSDB 2704
CHEMBL1889775
EC 246-613-9
NSC-9590
A877708
6-Methylheptyl sulfanylacetate #
NCGC00257485-01
3404M9ZDTB
AS-10359
6-Methylheptyl 2-mercaptoacetate
NS00004038
Acetic acid, mercapto- isooctyl ester
BUTYLDODECYLTIN BIS(ISOOCTYLTHIOGLYCOLATE)
Mercaptoacetic acid, isooctyl ester
Q27256307
NCGC00164196-01
ISOOCTYL THIOGLYCOLATE [INCI]
Isooctyl mercaptoacetate(mixture of branched chain isomers)
iso-octyl thioglycolate
CAS-25103-09-7
Tox21_303417
6-methylheptyl 2-sulfanylacetate
UNII-3404M9ZDTB
DSSTox_GSID_27841
Isooctyl 2-mercaptoacetate

MDL Number

MFCD00022088

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7)?

6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), with specific hazard categories including flammable liquids. It is also subject to the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations and may require registration if used in concentrations above certain thresholds. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use and disposal.

Are there alternatives to 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) in synthesis?

Alternatives to 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) in synthesis include other sulfanylacetates or similar functional groups, such as methyl sulfanylacetate or ethyl sulfanylacetate. Isomers or analogs like 7-Methylheptyl sulfanylacetate may also be considered depending on the specific application. Common substitute reagents include esters and other functionalized acetic acid derivatives.

What is the market or research trend for 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7)?

The market for 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) is driven by its use as a fragrance and flavor compound. Research trends indicate a growing interest in sustainable and renewable sources for fragrance materials. Additionally, there is ongoing exploration for new applications in the cosmetic and food industries, with a focus on product safety and regulatory compliance.

How should waste containing 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) be handled?

Waste containing 6-Methylheptyl sulfanylacetate (CAS: 25103-09-7) should be collected in appropriate containers and managed according to local regulations. Proper disposal methods include incineration or professional waste disposal services. Environmental protection measures should include ensuring no spillage occurs and using personal protective equipment. Disposal should be conducted in compliance with GHS guidelines and REACH regulations to minimize environmental impact.