15-Pentadecanolactone - ≥96%(GC) , CAS No.106-02-5

CAS: 106-02-5 Cat. No.: P498334 Fórmula: C₁₅H₂₈O₂ Peso molecular: 240.39 Beilstein Registry Number: 143710 Número CE: 203-354-6 PubChem CID: 235414

GRADE & PURITY ≥96%(GC)

Synonyms

AS-12374 | NSC36763 | NSC-36763 | PENTADECALACTONE [II] | OK17S3S98K | P0985 | 1,15-Pentadecanolide | .OMEGA.-PENTADECALACTONE | omega-Pentadecalactone, >=98%, FG | EXALTOLIDE [MI] | Muskalactone | 15-HYDROXYPENTADECA-NOIC ACID | Tox21_301123 | AKOS015964

Storage

Room temperature

Shipped In

Normal

Visão geral

Pentadecanolide may be used for the synthesis of poly(pentadecanolide) (PPDL) by Novozyme 435 catalyzed ring-opening polymerization. It may be employed as starting reagent for the synthesis of terminally-branched iso-fatty acids (iso-C15-C17).

Specifications

Sinónimos

AS-12374 | NSC36763 | NSC-36763 | PENTADECALACTONE [II] | OK17S3S98K | P0985 | 1,15-Pentadecanolide | .OMEGA.-PENTADECALACTONE | omega-Pentadecalactone, >=98%, FG | EXALTOLIDE [MI] | Muskalactone | 15-HYDROXYPENTADECA-NOIC ACID | Tox21_301123 | AKOS015964

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

• Pubchem Sid: 504758019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758019
• Sorrisos canónicos: C1CCCCCCCOC(=O)CCCCCC1
• IUPAC Name: oxacyclohexadecan-2-one
• InChIKey: FKUPPRZPSYCDRS-UHFFFAOYSA-N
• INCHI: 1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
• SMILES isoméricas: C1CCCCCCCOC(=O)CCCCCC1
• WGK Alemanha: 1
• RTECS: RN9775000
• PubChem CID: 235414
• Peso molecular: 240.39
• Beilstein: 143710
• Reaxy-Rn: 143710

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 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
• Descrição: 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

Alvos associados (humanos)

OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)

Discover Target: OR5K1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Soluble in alcohol, dipropylene glycol. Insoluble in water.
• Índice de refração: 1.47
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 137℃
• Ponto de fusão (°C): 33-37℃
• Peso molecular: 240.380 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 240.209 Da
• Monoisotopic Mass: 240.209 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 189.000
• 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

Referências

1. Huige Wang, Juan He, Lixin Song, Yunxia Zhang, Minghua Xu, Zhipeng Huang, Linbo Jin, Xin Ba, Yuanyuan Li, Liqin You, Shusheng Zhang.  (2020)  Etching of halloysite nanotubes hollow imprinted materials as adsorbent for extracting of Zearalenone from grain samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.104953]

2. Juan Torres-Rodríguez, Ricardo A. Pérez-Camargo, Yunxiang Shi, Kaojin Wang, Yong-Guang Jia, X. X. Zhu, Alejandro J. Müller.  (2025)  The Hidden Isodimorphic Crystallization of Poly(ε-Caprolactone-Ran-ω-Pentadecalactone) Copolymers.  BIOMACROMOLECULES,      [PMID:40373241] [10.1021/acs.biomac.5c00075]