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Cas Database |
| Name |
(Z)-4-Heptenal |
EINECS | 229-779-7 |
| CAS No. | 6728-31-0 | Density | 0.83 g/cm3 |
| PSA | 17.07000 | LogP | 1.93170 |
| Solubility | N/A | Melting Point |
-53.35°C (estimate) |
| Formula | C7H12O | Boiling Point | 151.6 °C at 760 mmHg |
| Molecular Weight | 112.172 | Flash Point | 35.2 °C |
| Transport Information | UN 1989 | Appearance | colorless to light yellow liquid |
| Safety | 16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Heptenal,(Z)- (8CI);(4Z)-Heptenal;(Z)-4-Heptenal;4-cis-Heptenal;cis-4-Heptenal;FEMA No. 3289;Propylidenebutyraldehyde;UNII-5BJ99WWP64; |
Article Data | 14 |
(Z)-4-Heptenal Synthetic route
- 18492-65-4
7,7-diethoxy-hept-3c-ene
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| With formic acid |
- 36872-14-7
2-hex-3-enyl-4,4,6-trimethyl-[1,3]oxazinane
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| With oxalic acid |
| Conditions | Yield |
|---|---|
| Multistep reaction; | |
| Multi-step reaction with 3 steps 1: PBr3, Py 2: (i) Mg, (ii) /BRN= 1719716/ 3: HCO2H View Scheme |
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; under 49400 Torr; for 3h; | 80 % Chromat. |
- 530086-82-9
(Z)-2-(hept-4-en-1-yloxy)tetrahydro-2H-pyran
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 74 percent / conc. H2SO4 / acetone; H2O / 20 °C 2: 65 percent / NACAA / CH2Cl2; pyridine / 0.33 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / methanol / 15 h / 20 °C 2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene / dichloromethane / 1 h / 20 °C View Scheme |
- 16400-32-1
1-bromo-pent-2-yne
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 60 percent / benzene / 12 h / Heating 2: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 3: 76 percent / LAH, EtOH / diethyl ether 4: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 5: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme |
- 42397-24-0
hept-4-yn-1-ol
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 2: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 77 percent / PBr3, pyridine / diethyl ether / Ambient temperature 2: 60 percent / benzene / 12 h / Heating 3: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 4: 76 percent / LAH, EtOH / diethyl ether 5: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 6: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme |
- 98442-18-3
ethyl 2-carbethoxy-hept-4-yn-1-oate
- 6728-31-0
(Z)-4-heptenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 2: 76 percent / LAH, EtOH / diethyl ether 3: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 4: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme |
(Z)-4-Heptenal Specification
The 4-Heptenal, (4Z)-, with the CAS registry number 67284-57-5, is also known as 4-cis-Heptenal. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; G-H; Alpha Sort; E-L; Volatiles/Semivolatiles. Its EINECS number is 229-779-7. This chemical's molecular formula is C7H12O and formula weight is 112.17. What's more, its IUPAC name is (Z)-hept-4-enal. It is flammable, so you should keep it away from sources of ignition - No smoking. Its storage temperature is 0-6°C.
Physical properties of 4-Heptenal, (4Z)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 34.72 cm3; (9)Molar Volume: 135 cm3; (10)Surface Tension: 26.6 dyne/cm; (11)Density: 0.83 g/cm3; (12)Flash Point: 35.2 °C; (13)Enthalpy of Vaporization: 38.84 kJ/mol; (14)Boiling Point: 151.6 °C at 760 mmHg; (15)Vapour Pressure: 3.64 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCCC=O
(2)Isomeric SMILES: CC/C=C\CCC=O
(3)InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
(4)InChIKey: VVGOCOMZRGWHPI-ARJAWSKDSA-N
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