Cyclopentadecanone - CAS 502-72-7
Catalog: |
BB026987 |
Product Name: |
Cyclopentadecanone |
CAS: |
502-72-7 |
Synonyms: |
CPE 218; Exaltone; Normuscon; Normuscone; NSC 63900 |
IUPAC Name: | cyclopentadecanone |
Description: | Cyclopentadecanone is the main odoriferous component of musk. |
Molecular Weight: | 224.38 |
Molecular Formula: | C15H28O |
Canonical SMILES: | C1CCCCCCCC(=O)CCCCCC1 |
InChI: | InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2 |
InChI Key: | OSOIQJGOYGSIMF-UHFFFAOYSA-N |
Boiling Point: | 120°C |
Melting Point: | 63°C |
Purity: | ≥95% |
Density: | 0.8973 g/cm3 |
Solubility: | Soluble in Alcohol |
Appearance: | Colourless Crystal Needles Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00001266 |
LogP: | 5.03050 |
Publication Number | Title | Priority Date |
CN-113461504-A | Method for preparing macrocyclic alkanone from epoxide | 20210813 |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
CN-113504318-A | Detection and verification method of cyclopentadecanone | 20210623 |
PMID | Publication Date | Title | Journal |
21922139 | 20120101 | Antitumor and anti-invasive effects of diverse musk-fragrant macrocyclic ketones and their enhancement by hyperthermia | Molecular medicine reports |
21801795 | 20111201 | A toxicological and dermatological assessment of macrocyclic ketones when used as fragrance ingredients: the RIFM Expert Panel | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
21801797 | 20111201 | Fragrance material review on cyclopentadecanone | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
21990014 | 20111104 | Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495) | ChemMedChem |
20111690 | 20090804 | Conformational analysis of thioether musks using density functional theory | International journal of molecular sciences |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.214015512 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.214015512 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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