β-Lonone
- Product Nameβ-Lonone
- CAS79-77-6
- CBNumberCB6456520
- MFC13H20O
- MW192.3
- EINECS201-224-3
- MDL NumberMFCD00001549
- MOL File79-77-6.mol
Chemical Properties
| Melting point: | -35 °C |
| Boiling point: | 126-128 °C12 mm Hg(lit.) |
| Density | 0.95 g/cm 3 at 20 °C |
| vapor pressure | <1 hPa (25 °C) |
| refractive index | n |
| FEMA | 2595 | BETA-IONONE |
| Flash point: | 126 °C - closed cup |
| storage temp. | Store below +30°C. |
| solubility | 0.11g/l insoluble |
| form | oil |
| color | Clear Colorless to Light Yellow |
| Odor | at 10.00 % in dipropylene glycol. dry powdery floral woody orris berry seedy |
| Odor Type | floral |
| Water Solubility | Soluble in water (0.11 mg/mI at 20°C). |
| Merck | 14,5056 |
| JECFA Number | 389 |
| BRN | 1909544 |
| Henry's Law Constant | 1.2×100 mol/(m3Pa) at 25℃, Fichan et al. (1999) |
| Dielectric constant | 12.0(20℃) |
| Stability: | Light Sensitive |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING ASTRINGENT |
| InChI | 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| SMILES | O=C(C)\C=C\C1=C(CCCC1(C)C)C |
| LogP | 4 at 25℃ |
| CAS DataBase Reference | 79-77-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-(79-77-6) |
| EPA Substance Registry System | .beta.-Ionone (79-77-6) |
Safety
| Symbol(GHS) |
 GHS09 |
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| Signal word | Warning | |||||||||
| Hazard statements | H411 | |||||||||
| Precautionary statements | P273-P391-P501 | |||||||||
| Hazard Codes | Xi,N | |||||||||
| Risk Statements | 38-51/53-36 | |||||||||
| Safety Statements | 61-36/37-26 | |||||||||
| RIDADR | UN 3082 9/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | EN0500000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2914 23 00 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Aquatic Chronic 2 | |||||||||
| Toxicity | LD50 orally in Rabbit: 2920 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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