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

CAS: 106-02-5 Cat. No.: P498334 Formula: C₁₅H₂₈O₂ Molecular Weight: 240.39 Beilstein Registry Number: 143710 EC Number: 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

Overview

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

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

Specifications & Purity

≥96%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

Pubchem Sid

504758019

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758019

Canonical Smiles

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

Isomeric SMILES

C1CCCCCCCOC(=O)CCCCCC1

WGK Germany

1

RTECS

RN9775000

PubChem CID

235414

Molecular Weight

240.39

Beilstein

143710

Reaxy-Rn

143710

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Soluble in alcohol, dipropylene glycol. Insoluble in water.
• x_refractive_index: 1.47
• x_flash_point_drop_fahrenheit: >230 °F
• x_flash_point_drop_centigrade: >110 °C
• x_boil_point_char: 137℃
• x_melt_point_char: 33-37℃
• Molecular Weight: 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