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Cas Database |
| Name |
13-Octadecenal, (13Z)- |
EINECS | 261-349-4 |
| CAS No. | 58594-45-9 | Density | 0.841 g/cm3 |
| PSA | 17.07000 | LogP | 6.22280 |
| Solubility | Insoluble in water | Melting Point |
N/A |
| Formula | C18H34O | Boiling Point | 356 °C at 760 mmHg |
| Molecular Weight | 266.467 | Flash Point | 179.2 °C |
| Transport Information | UN1993 | Appearance | colorless to yellow liquid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
cis-13-Octadecenal;(Z)-13-Octadecenal;13-Octadecenal,(Z)-; |
Article Data | 5 |
13-Octadecenal, (13Z)- Synthetic route
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| With acetic acid In tetrahydrofuran; water at 55℃; for 10h; | 95% |
- 69820-27-5
(Z)-octadec-13-en-1-ol
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| With pyridinium chlorochromate In dichloromethane at 20℃; for 3h; | 75% |
| With dipyridinium dichromate In dichloromethane for 24h; | 60% |
| With Py*HClCrO3 | |
| With pyridinium chlorochromate In dichloromethane at 20℃; for 16h; |
- 82260-32-0, 142524-63-8
4-(Z)-nonenemagnesium bromide
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 54 percent / Li2CuCl4 / tetrahydrofuran / 3 h / -10 °C 2: 53 percent / pyridinium p-toluenesulfonate / methanol / 6 h / 55 °C 3: 60 percent / pyridinium dichromate / CH2Cl2 / 24 h View Scheme |
- 130253-49-5
1-tetrahydropyranyloxy-13-(Z)-octadecene
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 53 percent / pyridinium p-toluenesulfonate / methanol / 6 h / 55 °C 2: 60 percent / pyridinium dichromate / CH2Cl2 / 24 h View Scheme | |
| Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / ethanol / 80 °C 2: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / methanol / 16 h / 20 °C 2: pyridinium chlorochromate / dichloromethane / 16 h / 20 °C View Scheme |
- 1120-34-9
methyl cis-13-docosenoate
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: (i) O3, (ii) Ph3P 3: LiAlH4 / diethyl ether / Heating 4: Py*HClCrO3 View Scheme |
- 1608-77-1
methyl 12-formyldodecanoate
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: LiAlH4 / diethyl ether / Heating 3: Py*HClCrO3 View Scheme |
- 13058-55-4
cis-13-octadecenoic acid, methyl ester
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: Py*HClCrO3 View Scheme |
- 146176-63-8
(Z)-1-(tetrahydropyran-2-yloxy)-4-nonene
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: pyridinium p-toluenesulfonate / methanol / 80 °C 2: pyridine 3: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 4: pyridinium p-toluenesulfonate / ethanol / 80 °C 5: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme |
- 59499-28-4
(Z)-4-nonen-1-ol
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: pyridine 2: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 3: pyridinium p-toluenesulfonate / ethanol / 80 °C 4: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme |
- 83165-98-4
1-tosyloxynon-4Z-ene
- 58594-45-9
(Z)-13-octadecenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 2: pyridinium p-toluenesulfonate / ethanol / 80 °C 3: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme |
13-Octadecenal, (13Z)- Specification
The 13-Octadecenal, (13Z)-, with the CAS registry number 58594-45-9, is also known as 13-Octadecenal, (Z)-. Its EINECS registry number is 261-349-4. This chemical's molecular formula is C18H34O and molecular weight is 266.46. Its IUPAC name is called (Z)-octadec-13-enal.
Physical properties of 13-Octadecenal, (13Z)-: (1)ACD/LogP: 7.83; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 15; (5)Index of Refraction: 1.453; (6)Molar Refractivity: 85.68 cm3; (7)Molar Volume: 316.5 cm3; (8)Surface Tension: 30.5 dyne/cm; (9)Density: 0.841 g/cm3; (10)Flash Point: 179.2 °C; (11)Enthalpy of Vaporization: 60.12 kJ/mol; (12)Boiling Point: 356 °C at 760 mmHg; (13)Vapour Pressure: 3E-05 mmHg at 25°C.
Preparation of 13-Octadecenal, (13Z)-: this chemical can be prepared by octadec-13c-en-1-ol. This reaction will need reagent Py•HClCrO3.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC=CCCCCCCCCCCCC=O
(2)Isomeric SMILES: CCCC/C=C\CCCCCCCCCCCC=O
(3)InChI: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
(4)InChIKey: QIRGIHPYVVKWTO-WAYWQWQTSA-N
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