Butyl Thioglycolate - ≥98%(GC) , CAS No.10047-28-6

CAS: 10047-28-6 Cat. No.: B152740 Formula: C₆H₁₂O₂S Peso molecolare: 148.22 Beilstein Registry Number: 3(4)620 Numero EC: 233-156-5

GRADE & PURITY ≥98%(GC)

Synonyms

96L21ZJ8JC | Butyl thioglycolate | NSC 65453 | OCTANOIC1-13CACID | AI3-63085 | BUTYL THIOGLYCOLATE [INCI] | Acetic acid, mercapto-, butyl ester | SCHEMBL160260 | 3-PYRIDINEMETHANOL, 6-CHLORO- | MFCD00022087 | butyl 2-sulfanylacetate | AKOS005207055 | Buty

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

96L21ZJ8JC | Butyl thioglycolate | NSC 65453 | OCTANOIC1-13CACID | AI3-63085 | BUTYL THIOGLYCOLATE [INCI] | Acetic acid, mercapto-, butyl ester | SCHEMBL160260 | 3-PYRIDINEMETHANOL, 6-CHLORO- | MFCD00022087 | butyl 2-sulfanylacetate | AKOS005207055 | Buty

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488186084

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186084

Sorrisi canonici

CCCCOC(=O)CS

IUPAC Name

butyl 2-sulfanylacetate

InChIKey

SKGVGRLWZVRZDC-UHFFFAOYSA-N

INCHI

1S/C6H12O2S/c1-2-3-4-8-6(7)5-9/h9H,2-5H2,1H3

Isomeri SMILES

CCCCOC(=O)CS

Peso molecolare

148.22

Beilstein

3(4)620

Reaxy-Rn

1749486

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749486&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive,Moisture Sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 66°C(lit.)
• Punto di infiammabilità (°C): 66 °C
• Punto di ebollizione (°C): 194°C(lit.)
• Peso molecolare: 148.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.056 Da
• Monoisotopic Mass: 148.056 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10047-28-6, the molecular formula is C6H12O2S, and the molecular weight is 148.22 g/mol. InChIKey SKGVGRLWZVRZDC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.