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| CAS No.: | 19408-84-5 |
|---|---|
| Name: | Dihydrocapsaicin |
| Molecular Structure: | |
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| Formula: | C18H29NO3 |
| Molecular Weight: | 307.433 |
| Synonyms: | Nonanamide,8-methyl-N-vanillyl- (7CI,8CI);6,7-Dihydrocapsaicin;Capsaicin, dihydro-; |
| EINECS: | 206-969-8 |
| Density: | 1.026 g/cm3 |
| Melting Point: | 62-65 °C(lit.) |
| Boiling Point: | 497.4 °C at 760 mmHg |
| Flash Point: | 254.6 °C |
| Solubility: | insoluble in water; soluble in dimethyl sulfoxide and 100 % ethanol |
| Appearance: | White to off-white solid |
| Hazard Symbols: |
 T
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| Risk Codes: | 25-37/38-41-42/43-36/37/38 |
| Safety: | 22-26-28-36/39-45-36/37/39 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 58.56000 |
| LogP: | 4.40450 |
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Specification
The Dihydrocapsaicin, also known as Nonanamide, 8-methyl-N-vanillyl-, is an organic compound with the formula C18H29NO3. It belongs to the product category of Miscellaneous Natural Products. Its EINECS registry number is 206-969-8. With the CAS registry number 19408-84-5, its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide. Pure dihydrocapsaicin is a lipophilic colorless odorless crystalline to waxy compound. It is soluble in dimethyl sulfoxide and 100 % ethanol.
Physical properties of Dihydrocapsaicin: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.78; (3)ACD/LogD (pH 7.4): 3.77; (4)ACD/BCF (pH 5.5): 436.87; (5)ACD/BCF (pH 7.4): 434.97; (6)ACD/KOC (pH 5.5): 2701.23; (7)ACD/KOC (pH 7.4): 2689.46; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 89.64 cm3; (13)Molar Volume: 299.5 cm3; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.026 g/cm3; (16)Flash Point: 254.6 °C; (17)Enthalpy of Vaporization: 79.45 kJ/mol; (18)Boiling Point: 497.4 °C at 760 mmHg; (19)Vapour Pressure: 1.61E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. Irritating to eyes, respiratory system and skin. In addition, it may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
(2)InChI: InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
(3)InChIKey: XJQPQKLURWNAAH-UHFFFAOYSA-N