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| CAS No.: | 68901-15-5 |
|---|---|
| Name: | Allyl cyclohexyloxyacetate |
| Molecular Structure: | |
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|
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| Formula: | C11H18O3 |
| Molecular Weight: | 198.26 |
| Synonyms: | Aceticacid, (cyclohexyloxy)-, 2-propenyl ester (9CI);Allyl 2-(cyclohexyloxy)acetate;Cyclogalbanate;Cyclogalbaniff;Isoananat; |
| EINECS: | 272-657-3 |
| Density: | 1.005 g/cm3 |
| Boiling Point: | 283.075 °C at 760 mmHg |
| Flash Point: | 113.895 °C |
| Solubility: | 1.655g/L at 20℃ |
| Appearance: | colorless transparent liquid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | Xn:Harmful; Xn:Harmful; |
| PSA: | 35.53000 |
| LogP: | 2.06490 |
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Specification
The Allyl cyclohexyloxyacetate, with the CAS registry number 68901-15-5, is also known as Galbanum oxyacetate. Its EINECS registry number is 272-657-3. This chemical's molecular formula is C11H18O3 and molecular weight is 198.26. What's more, its IUPAC name is called Prop-2-enyl 2-cyclohexyloxyacetate.
Physical properties about Allyl cyclohexyloxyacetate are: (1)ACD/LogP: 2.643; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 60.10; (6)ACD/BCF (pH 7.4): 60.10; (7)ACD/KOC (pH 5.5): 653.02; (8)ACD/KOC (pH 7.4): 653.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 54.279 cm3; (15)Molar Volume: 197.266 cm3; (16)Surface Tension: 33.34 dyne/cm; (17)Density: 1.005 g/cm3; (18)Flash Point: 113.895 °C; (19)Enthalpy of Vaporization: 52.197 kJ/mol; (20)Boiling Point: 283.075 °C at 760 mmHg; (21)Vapour Pressure: 0.0030 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)COC1CCCCC1
(2) InChI: InChI=1S/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2
(3) InChIKey: MBUYSYKXSMTIPP-UHFFFAOYSA-N