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| CAS No.: | 1365-19-1 |
|---|---|
| Name: | Epoxydihydrolinalool |
| Molecular Structure: | |
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| Formula: | C10H18O2 |
| Molecular Weight: | 170.25 |
| Synonyms: | 1,2-Dihydrolinalool |
| EINECS: | 215-723-9 |
| Density: | 1.017 g/cm3 |
| Boiling Point: | 261.1 °C at 760 mmHg |
| Flash Point: | 102.522 °C |
| Appearance: | with similar (sweet lemon) citron fragrance |
| PSA: | 32.76000 |
| LogP: | 1.88100 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Linalool oxide, with the CAS registry number 1365-19-1, is also known as 2-Oxiranemethanol, α-methyl-α-(4-methyl-3-penten-1-yl)-. Its EINECS number is 215-723-9. This chemical's molecular formula is C10H18O2 and molecular weight is 170.25. What's more, its systematic name is 6-Methyl-2-(2-oxiranyl)-5-hepten-2-ol.
Physical properties of Linalool oxide are: (1)ACD/LogP: 1.375; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.53; (6)ACD/BCF (pH 7.4): 6.53; (7)ACD/KOC (pH 5.5): 133.36; (8)ACD/KOC (pH 7.4): 133.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.76 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 48.991 cm3; (15)Molar Volume: 167.478 cm3; (16)Polarizability: 19.421×10-24cm3; (17)Surface Tension: 38.23 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 102.522 °C; (20)Enthalpy of Vaporization: 57.934 kJ/mol; (21)Boiling Point: 261.1 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CC\C=C(/C)C)(C1OC1)C
(2)Std. InChI: InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3
(3)Std. InChIKey: BXOURKNXQXLKRK-UHFFFAOYSA-N