2-pentiltiofeno - ≥98%(GC) , CAS No.4861-58-9

CAS: 4861-58-9 Cat. No.: P160668 Fórmula: C₉H₁₄S Peso molecular: 154.27 Beilstein Registry Number: 17(5)1,390 Número EC: 225-465-9 PubChem CID: 20995

GRADE & PURITY ≥98%(GC)

Synonyms

1-Methylbutylthiophene | DS-4807 | FEMA NO. 4387 | Q27161703 | SCHEMBL176020 | P1835 | W-106046 | 2-n-Amylthiophene | Thiophene, 2-pentyl- | 2-PENTYLTHIOPHENE | 2-pentyl-thiophene | EN300-88036 | 2-PENTYLTHIOPHENE [FHFI] | SB66868 | AKOS006230222 | F15453

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Methylbutylthiophene | DS-4807 | FEMA NO. 4387 | Q27161703 | SCHEMBL176020 | P1835 | W-106046 | 2-n-Amylthiophene | Thiophene, 2-pentyl- | 2-PENTYLTHIOPHENE | 2-pentyl-thiophene | EN300-88036 | 2-PENTYLTHIOPHENE [FHFI] | SB66868 | AKOS006230222 | F15453

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488182659
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182659
• Sonrisas canónicas: CCCCCC1=CC=CS1
• IUPAC Name: 2-pentylthiophene
• InChIKey: NOYVOSGVFSEKPR-UHFFFAOYSA-N
• INCHI: 1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
• Isómeros SMILES: CCCCCC1=CC=CS1
• PubChem CID: 20995
• Peso molecular: 154.27
• Beilstein: 17(5)1,390
• Reaxy-Rn: 107941

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°F): 75°C(lit.)
• Punto de inflamación (°C): 75°C(lit.)
• Punto de ebullición (°C): 204°C(lit.)
• Peso molecular: 154.270 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.082 Da
• Monoisotopic Mass: 154.082 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.800
• 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

Referencias

1. Li Jing, Tang Chaohua, Yang Youyou, Hu Ying, Zhao Qingyu, Ma Qing, Yue Xiangpeng, Li Fadi, Zhang Junmin.  (2023)  Characterization of meat quality traits, fatty acids and volatile compounds in Hu and Tan sheep.  Frontiers in Nutrition,      [PMID:36866058] [10.3389/fnut.2023.1072159]

2. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]

3. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]

4. Siyue Liu, Jinge Xie, Wenqi Luan, Chen Liu, Xiwen Chen, Defu Chen.  (2024)  Papiliotrema flavescens, a plant growth-promoting fungus, alters root system architecture and induces systemic resistance through its volatile organic compounds in Arabidopsis.  PLANT PHYSIOLOGY AND BIOCHEMISTRY,      [PMID:38430787] [10.1016/j.plaphy.2024.108474]

Preguntas frecuentes

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 should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4861-58-9, the molecular formula is C9H14S, and the molecular weight is 154.27 g/mol. InChIKey NOYVOSGVFSEKPR-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.