16-Hexadecanolide
Product Information
Molecular Formula
C16H30O2
Molecular Weight
254.41
Description
16-Hexadecanolide (CAS# 109-29-5) is a useful synthetic reagent used to prepare long chain fatty alcohols.
Synonyms
oxacycloheptadecan-2-one
IUPAC Name
oxacycloheptadecan-2-one
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
Refractive Index
n20/D1.4680-1.4730
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
5.00460
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
XLogP3
6.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
254.224580195 g/mol
Monoisotopic Mass
254.224580195 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
201
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022031761-A | How to improve the solubility of poorly water-soluble ingredients | 2021-11-22 |
| CN-113588840-A | Method for detecting content of milbemycins | 2021-08-17 |
| CN-113122122-A | High-solid-content polyurethane ink resin, preparation method and application thereof | 2021-04-02 |
| CN-112931401-A | Crossbreeding method for improving growth performance of Jian red-hair duck | 2021-03-05 |
| DE-202021100549-U1 | Device for the release of volatile substances into the environment | 2021-02-03 |
| CN-112868647-A | Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus | 2021-01-21 |
| KR-102242940-B1 | Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby | 2021-01-19 |
| CN-112390810-A | Separation and purification method of milbemycin fermentation liquor | 2020-11-26 |
| CN-112390810-B | Separation and purification method of milbemycin fermentation liquor | 2020-11-26 |
| CN-112225873-A | High-transparency fast-forming degradable thermoplastic polyurethane elastomer and preparation method thereof | 2020-09-15 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21802479 | 2011-12-01 | Fragrance material review on hexadecanolide | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 18975906 | 2008-12-01 | Polymers from functional macrolactones as potential biomaterials: enzymatic ring opening polymerization, biodegradation, and biocompatibility | Biomacromolecules |
| 17914582 | 2007-11-01 | Antitumor and anti-invasive effects of diverse new macrocyclic lactones, alkylolides and alkenylolides, and their enhancement by hyperthermia | Oncology reports |
| 17191826 | 2004-12-01 | 14-Methylpentadecano-15-lactone (muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L | Chemistry & biodiversity |
| 11807759 | 2002-03-20 | A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity | Biotechnology and bioengineering |
| 11735540 | 2001-12-14 | Stereoselective synthesis of delta-lactones from 5-oxoalkanals via one-pot sequential acetalization, Tishchenko reaction, and lactonization by cooperative catalysis of samarium Ion and mercaptan | The Journal of organic chemistry |
