16-Hexadecanolide - ≥97%(GC) , CAS No.109-29-5

CAS: 109-29-5 Cat. No.: H157273 Fórmula: C₁₆H₃₀O₂ Peso molecular: 254.41 Beilstein Registry Number: 17(5)9,108 Número EC: 203-662-0

GRADE & PURITY ≥97%(GC)

Synonyms

16-Hydroxyhexadecanoic acid lactone | MFCD00039668 | NSC33546 | NSC-33546 | 1,16-Hexadecanolactone | AS-81214 | Dihydroambrettolide | HEXADECANOIC ACID, 16-HYDROXY-, O-LACTONE | Q21099108 | 5-17-09-00108 (Beilstein Handbook Reference) | AKOS040744516 | CA

Storage

Room temperature

Shipped In

Normal

Descripción general

16-Hexadecanolide (HDL) is a 7-membered lactone .It can be synthesized from 16-hydroxyhexadecanoic acid ethyl ester. HDL undergoes enzymatic ring-opening polymerization in the presence of lipases to afford the corresponding polymers

16-Hexadecanolide may be used as a starting reagent in the synthesis of caeliferin A 16:0  

Specifications

Sinónimos

16-Hydroxyhexadecanoic acid lactone | MFCD00039668 | NSC33546 | NSC-33546 | 1,16-Hexadecanolactone | AS-81214 | Dihydroambrettolide | HEXADECANOIC ACID, 16-HYDROXY-, O-LACTONE | Q21099108 | 5-17-09-00108 (Beilstein Handbook Reference) | AKOS040744516 | CA

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488180640
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180640
• Sonrisas canónicas: C1CCCCCCCC(=O)OCCCCCCC1
• IUPAC Name: oxacycloheptadecan-2-one
• InChIKey: LOKPJYNMYCVCRM-UHFFFAOYSA-N
• INCHI: 1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
• Isómeros SMILES: C1CCCCCCCC(=O)OCCCCCCC1
• WGK Alemania: 2
• RTECS: RN9730000
• Peso molecular: 254.41
• Beilstein: 17(5)9,108
• Reaxy-Rn: 148631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148631&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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 Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Macrolide - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - 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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
• 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

• Índice de refracción: 1.4680-1.4730
• Punto de ebullición (°C): 188 °C/15 mmHg
• Punto de fusión (°C): 34-38°C
• Peso molecular: 254.410 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 254.225 Da
• Monoisotopic Mass: 254.225 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 201.000
• 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