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CAS No.: | 28079-04-1 |
---|---|
Name: | (Z)-8-DODECEN-1-YL ACETATE |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C14H26O2 |
Molecular Weight: | 226.359 |
Synonyms: | 8-Dodecen-1-ol,acetate, (8Z)- (9CI);8-Dodecen-1-ol, acetate, (Z)- (8CI);(8Z)-Dodec-8-en-1-olacetate;(Z)-8-Dodecen-1-ol acetate;(Z)-8-Dodecen-1-yl acetate;(Z)-8-Dodecenyl acetate;Denacil;Funemone;GM;Orfamone;cis-8-Dodecen-1-yl acetate;8-Dodecen-1-ol,1-acetate, (8Z)-; |
EINECS: | 248-823-6 |
Density: | 0.881 g/cm3 |
Boiling Point: | 300.1 °C at 760 mmHg |
Flash Point: | 96.5 °C |
PSA: | 26.30000 |
LogP: | 4.24640 |
1-Acetoxydodec-8-yne
(Z)-8-dodecen-1-yl acetate
Conditions | Yield |
---|---|
With quinoline; hydrogen; Pd-BaSO4 In methanol | 97% |
With hydrogen; Lindlar's catalyst In hexane at 15℃; | 7 g |
Conditions | Yield |
---|---|
In pyridine | 95% |
With pyridine In benzene |
Conditions | Yield |
---|---|
With pyridine at 5 - 25℃; for 2h; Large scale; | 95% |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 12h; Inert atmosphere; chemoselective reaction; | 90% |
With pyridine | 89% |
In pyridine for 24h; Ambient temperature; | 75% |
(Z)-1-(2-tetrahydropyranyloxy)dodec-8-ene
acetyl chloride
(Z)-8-dodecen-1-yl acetate
Conditions | Yield |
---|---|
With acetic acid at 60℃; for 6h; | 77% |
Conditions | Yield |
---|---|
With C32H41N3O4Ru In tetrahydrofuran at 20℃; for 4h; Inert atmosphere; Glovebox; chemoselective reaction; | 65% |
With C35H47N3O4Ru In tetrahydrofuran at 35℃; for 2h; | 58% |
With Z-selective metathesis catalyst | |
With Z-selective cross-metathesis catalyst Inert atmosphere; |
(Z)-8-dodecen-1-yl acetate
Conditions | Yield |
---|---|
With sodium tetrahydroborate In dimethyl sulfoxide at 80℃; | 58% |
(E)-8-dodecenyl acetate
(Z)-8-dodecen-1-yl acetate
Conditions | Yield |
---|---|
(i) HCl, (ii) NBS, (iii) NaI, DMF; Multistep reaction; |
Δ8-dodecen-1-ol
acetic anhydride
A
(Z)-8-dodecen-1-yl acetate
B
(E)-8-dodecenyl acetate
Conditions | Yield |
---|---|
With pyridine Yield given. Yields of byproduct given; | |
With pyridine at 5 - 25℃; for 2h; Overall yield = 93.3 %; Overall yield = 0.57 kg; | A n/a B n/a |
acetic anhydride
(Z)-1-(2-tetrahydropyranyloxy)dodec-8-ene
(Z)-8-dodecen-1-yl acetate
Conditions | Yield |
---|---|
With pyridine; water; toluene-4-sulfonic acid 1) MeOH, room temp., 15 h; 2) room temp., 24 h.; Yield given. Multistep reaction; |
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The Orfralure, with the CAS registry number 28079-04-1, is also known as (Z)-8-Dodecen-1-ol acetate. Its EINECS number is 248-823-6. This chemical's molecular formula is C14H26O2 and formula weight is 226.36. What's more, its IUPAC name is [(Z)-dodec-8-enyl] acetate.
Physical properties of Orfralure are: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.448; (8)Molar Refractivity: 68.74 cm3; (9)Molar Volume: 256.7 cm3; (10)Surface Tension: 30 dyne/cm; (11)Density: 0.881 g/cm3; (12)Flash Point: 96.5 °C; (13)Enthalpy of Vaporization: 54.02 kJ/mol; (14)Boiling Point: 300.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00114 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-Acetoxydodec-8-yne. This reaction will need reagent H2, quinoline and solvent methanol. This reaction will also need catalyst 5% Pd/BaSO4. The yield is about 97%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC=CCCCCCCCOC(=O)C
(2)Isomeric SMILES: CCC/C=C\CCCCCCCOC(=O)C
(3)InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5-
(4)InChIKey: SUCYDSJQVVGOIW-WAYWQWQTSA-N