16-Hexadecanolide - CAS 109-29-5
Catalog: |
BB002428 |
Product Name: |
16-Hexadecanolide |
CAS: |
109-29-5 |
Synonyms: |
oxacycloheptadecan-2-one |
IUPAC Name: | oxacycloheptadecan-2-one |
Description: | 16-Hexadecanolide (CAS# 109-29-5) is a useful synthetic reagent used to prepare long chain fatty alcohols. |
Molecular Weight: | 254.41 |
Molecular Formula: | C16H30O2 |
Canonical SMILES: | C1CCCCCCCC(=O)OCCCCCCC1 |
InChI: | InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2 |
InChI Key: | LOKPJYNMYCVCRM-UHFFFAOYSA-N |
Boiling Point: | 188 °C / 15 mmHg |
Melting Point: | 34-38 °C (lit.) |
Flash Point: | >100°C |
Purity: | 95 % |
Density: | 0.94 g/cm3 |
Appearance: | Colourless to light yellow solid |
Storage: | -20 °C |
MDL: | MFCD00039668 |
LogP: | 5.00460 |
Refractive Index: | n20/D1.4680-1.4730 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21802479 | 20111201 | Fragrance material review on hexadecanolide | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
18975906 | 20081201 | Polymers from functional macrolactones as potential biomaterials: enzymatic ring opening polymerization, biodegradation, and biocompatibility | Biomacromolecules |
17914582 | 20071101 | Antitumor and anti-invasive effects of diverse new macrocyclic lactones, alkylolides and alkenylolides, and their enhancement by hyperthermia | Oncology reports |
17191826 | 20041201 | 14-Methylpentadecano-15-lactone (muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L | Chemistry & biodiversity |
11807759 | 20020320 | A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity | Biotechnology and bioengineering |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.224580195 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.224580195 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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