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

CAS: 106-02-5 Cat. No.: P498334 Formule: C₁₅H₂₈O₂ Poids moléculaire: 240.39 Beilstein Registry Number: 143710 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%(GC)

Noms et identifiants

• Pubchem Sid: 504758019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758019
• Sourires canoniques: 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
• Isomères SMILES: C1CCCCCCCOC(=O)CCCCCC1
• WGK Allemagne: 1
• RTECS: RN9775000
• PubChem CID: 235414
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Soluble in alcohol, dipropylene glycol. Insoluble in water.
• Indice de réfraction: 1.47
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 137℃
• Point de fusion (°C): 33-37℃
• Poids moléculaire: 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

Références

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]