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| CAS No.: | 2721-22-4 |
|---|---|
| Name: | delta-Tetradecalactone |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C14H26O2 |
| Molecular Weight: | 226.359 |
| Synonyms: | Tetradecanoicacid, 5-hydroxy-, d-lactone (7CI);5-Hydroxytetradecanoic acid d-lactone;5-Tetradecanolide;Tetradecanoic acid d-lactone;d-Nonyl-d-valerolactone;d-Tetradecalactone;d-Tetradecane lactone; |
| EINECS: | 220-334-2 |
| Density: | 0.916 g/cm3 |
| Melting Point: | 130-135 °C |
| Boiling Point: | 322.77 °C at 760 mmHg |
| Flash Point: | 133.042 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 26.30000 |
| LogP: | 4.22280 |
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Specification
The delta-Tetradecalactone with cas registry number of 2721-22-4, its other registry number is 92446-06-5. Its IUPAC name is 6-nonyloxan-2-one. And it is also called 5-Hydroxytetradecanoic acid delta-lactone. The delta-Tetradecalactone belongs to the following product categories: (1)Alphabetical Listings; (2)Flavors and Fragrances; (3)Q-Z.
Physical properties about this chemical are: (1)XLogP3: 4.7; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 8; (5)Tautomer Count: 2; (6)Exact Mass: 226.19328; (7)MonoIsotopic Mass: 226.19328; (8)Topological Polar Surface Area: 26.3; (9)Heavy Atom Count: 16; (10)Formal Charge: 0; (11)Complexity: 189; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter: Count 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
Preparation: this chemical can be prepared by 2-nonyl-cyclopentanone. This reaction will need reagent MoOBr3, H2O2, AcOH, Ac2O. The reaction time is 6 hour(s) with reaction temperature of 50 - 70 ℃. The yield is about 78%..jpg)
When you are using this chemical, please be cautious about it as the following:
The delta-Tetradecalactone irritates to eyes, respiratory system and skin. So avoid contact with skin and eyes and do not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC1CCCC(=O)O1;
(2)InChI: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3;
(3)InChIKey: SKQYTJLYRIFFCO-UHFFFAOYSA-N.