12-oxahexadecanolide - Reagent grade , CAS No.6707-60-4

CAS: 6707-60-4 Cat. No.: O479343 Formula: C₁₅H₂₈O₃ Peso molecolare: 256.39 Numero EC: 229-755-6

GRADE & PURITY Reagent Grade

Synonyms

12-oxahexadecanolide, AldrichCPR | DTXCID2027703 | ST011693 | G6U2GR91JI | 12-Oxahexadecanolide | 12-oxa-hexadecanolide | STL145847 | MRMOPGVGWFNHIN-UHFFFAOYSA-N | 16-Hydroxy-12-oxahexadecanoic acid, omega-lactone | SCHEMBL114946 | 1,6-DIOXACYCLOHEPTADECA

Storage

Room temperature

Specifications

Sinonimi

12-oxahexadecanolide, AldrichCPR | DTXCID2027703 | ST011693 | G6U2GR91JI | 12-Oxahexadecanolide | 12-oxa-hexadecanolide | STL145847 | MRMOPGVGWFNHIN-UHFFFAOYSA-N | 16-Hydroxy-12-oxahexadecanoic acid, omega-lactone | SCHEMBL114946 | 1,6-DIOXACYCLOHEPTADECA

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

• Sorrisi canonici: C1CCCCCOCCCCOC(=O)CCCC1
• IUPAC Name: 1,6-dioxacycloheptadecan-7-one
• InChIKey: MRMOPGVGWFNHIN-UHFFFAOYSA-N
• INCHI: 1S/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2
• Isomeri SMILES: C1CCCCCOCCCCOC(=O)CCCC1
• Peso molecolare: 256.39
• Reaxy-Rn: 158802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Macrolides and analogues

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Macrolides and analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolides and analogues
• Alternative Parents: Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Macrolide - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
• 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

• Peso molecolare: 256.380 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 256.204 Da
• Monoisotopic Mass: 256.204 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 204.000
• 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

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 6707-60-4, the molecular formula is C15H28O3, and the molecular weight is 256.39 g/mol. InChIKey MRMOPGVGWFNHIN-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.