delta-Dodecalactone CAS 713-95-1
Introduction：Basic information about delta-Dodecalactone CAS 713-95-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
delta-Dodecalactone Basic information
| Product Name: | delta-Dodecalactone |
| Synonyms: | 2H-Pyran-2-one, tetrahydro-6-heptyl;5-Hydroxydodecanoic acid, lactone;5-hydroxy-dodecanoicacidelta-lactone;5-hydroxydodecanoicacidlactone;6-heptyltetrahydro-2h-pyran-2-on;6-Heptyloxan-2-one;(4R)-4-Hydroxydodecanoic acid lactone;(5R)-5-Octyl-4,5-dihydrofuran-2(3H)-one |
| CAS: | 713-95-1 |
| MF: | C12H22O2 |
| MW: | 198.3 |
| EINECS: | 211-932-4 |
| Product Categories: | Cosmetics;Food Additive |
| Mol File: | 713-95-1.mol |
delta-Dodecalactone Chemical Properties
| Melting point | -12 °C (lit.) |
| Boiling point | 140-141 °C/1 mmHg (lit.) |
| density | 0.942 g/mL at 25 °C (lit.) |
| vapor pressure | 0.132Pa at 25℃ |
| refractive index | n |
| FEMA | 2401 | DELTA-DODECALACTONE |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Insoluble in water, soluble in alcohol and oils. poorly soluble in Propylene glycol. |
| pka | 0.001[at 20 ℃] |
| form | viscous liquid. |
| color | Colorless to Light yellow |
| Odor | at 100.00 %. fresh sweet metallic peach oily coconut buttery |
| Odor Type | tropical |
| biological source | synthetic |
| Water Solubility | Not miscible or difficult to mix in water. |
| JECFA Number | 236 |
| BRN | 1282749 |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey | QRPLZGZHJABGRS-UHFFFAOYSA-N |
| SMILES | CCCCCCCC1CCCC(=O)O1 |
| LogP | 3.48 |
| CAS DataBase Reference | 713-95-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2H-Pyran-2-one, 6-heptyltetrahydro-(713-95-1) |
| EPA Substance Registry System | 2H-Pyran-2-one, 6-heptyltetrahydro- (713-95-1) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 2 |
| RTECS | UQ0850000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29322090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 713-95-1(Hazardous Substances Data) |
| Chemical Properties | delta-Dodecalactone is a colorless to slightly yellowish liquidwith a powerful fruity, peach-like, and oily odor. It may be produced in the sameway asδ-decalactone. Similarly to δ-decalactone, it is mainly used in cream andbutter flavors. |
| Chemical Properties | δ-Dodecalactone has a powerful, fresh, coconut-fruity, oily odor. On dilution the odor is butter-like. At low levels, ithas a peach-, pear-, plum-like flavor. |
| Uses | delta-Dodecanolactone is used as a :flavoring agent. It is used in daily chemical essence. It is also used in agrochemical, pharmaceutical and dyestuff field. |
| Definition | ChEBI: Xi-5-Dodecanolide is a delta-lactone. |
| Synthesis Reference(s) | Tetrahedron Letters, 25, p. 1159, 1984 DOI: 10.1016/S0040-4039(01)91549-7 |
| General Description | δ-Dodecalactone is a flavor volatile compound mainly found in milk fat. |
| Flammability and Explosibility | Non flammable |
| Biochem/physiol Actions | Taste at 10 ppm |
| Synthesis | delta-Dodecalactone is produced from 5-Hydroxydodecanoic acid byIactonization. |
| References | [1] Journal of Organic Chemistry, 1997, vol. 62, # 8, p. 2633 - 2635 [2] Patent: CN103951642, 2016, B. Location in patent: Paragraph 0032; 0033 [3] Patent: WO2004/78738, 2004, A1. Location in patent: Page 13 [4] Russian Journal of Applied Chemistry, 1997, vol. 70, # 4, p. 621 - 626 [5] Russian Journal of General Chemistry, 2011, vol. 81, # 8, p. 1664 - 1670 |
delta-Dodecalactone Preparation Products And Raw materials
| Raw materials | Lauric acid-->2-N-HEPTYLCYCLOPENTANONE-->5-Ketolauric acid-->Hydrogen peroxide-->Tungsten trioxide-->Acetonitrile |
