δ-Decanolactone - ≥98% , CAS No.705-86-2

CAS: 705-86-2 Cat. No.: D101425 Fórmula: C₁₀H₁₈O₂ Peso molecular: 170.25 Beilstein Registry Number: 117520 Número EC: 211-889-1

GRADE & PURITY ≥98%

Synonyms

6-pentyloxan-2-one | NCGC00255981-01 | .DELTA.-LACTONE | .DELTA.-LACTONE- | 5-Decanolide, >=98% | .DELTA.-DECALACTONE [MI] | .DELTA.-DECALACTONE [FHFI] | 5-17-09-00090 (Beilstein Handbook Reference) | 5-Decalactone | (RS)-.DELTA.-DECALACTONE | delta-Decan

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-pentyloxan-2-one | NCGC00255981-01 | .DELTA.-LACTONE | .DELTA.-LACTONE- | 5-Decanolide, >=98% | .DELTA.-DECALACTONE [MI] | .DELTA.-DECALACTONE [FHFI] | 5-17-09-00090 (Beilstein Handbook Reference) | 5-Decalactone | (RS)-.DELTA.-DECALACTONE | delta-Decan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504752394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752394

Sonrisas canónicas

CCCCCC1CCCC(=O)O1

IUPAC Name

6-pentyloxan-2-one

InChIKey

GHBSPIPJMLAMEP-UHFFFAOYSA-N

INCHI

1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3

Isómeros SMILES

CCCCCC1CCCC(=O)O1

WGK Alemania

1

RTECS

UQ1355000

Peso molecular

170.25

Beilstein

117520

Reaxy-Rn

4662460

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4662460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• External Descriptors: Lactones

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: Soluble in water (4 mg/ml at 28°C), alcohols, and propylene glycol.
• Índice de refracción: 1.458
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 117-120°C
• Punto de fusión (°C): -27°C
• Peso molecular: 170.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 705-86-2, the molecular formula is C10H18O2, and the molecular weight is 170.25 g/mol. InChIKey GHBSPIPJMLAMEP-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.