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Cas Database |
| Name |
2,4-Heptadienoic acid |
EINECS | N/A |
| CAS No. | 17175-86-9 | Density | 1.001 g/cm3 |
| PSA | 37.30000 | LogP | 1.59340 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H10O2 | Boiling Point | 247.2 °C at 760 mmHg |
| Molecular Weight | 126.155 | Flash Point | 154.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,4-Heptadiensaeure;2,4-Heptadienoic acid; |
Article Data | 5 |
2,4-Heptadienoic acid Synthetic route
- 4208-61-1, 119619-55-5, 127418-31-9, 128948-40-3
ethylfurfuryl alcohol
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| With palladium(II) nitrate hydrate; oxygen; nitric acid; cetyltrimethylammonium chloride; sodium sulfate In cyclohexane at 50℃; under 3750.38 Torr; for 12h; pH=4.5; Reagent/catalyst; pH-value; Solvent; Temperature; Sealed tube; Autoclave; | 93% |
- 5910-85-0
hepta-2,4-dienal
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; silver nitrate In ethanol; water Ambient temperature; | 87% |
| With hydroxide; silver nitrate |
- 1191-04-4
2-hexenoic acid
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: 73 percent / CH3I / 3 h / Heating 3: 87 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature View Scheme |
- 505-57-7
2-hexenal
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 89 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature 3: 73 percent / CH3I / 3 h / Heating 4: 87 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature View Scheme |
- 4219-24-3
hex-3-enoic acid
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: 73 percent / CH3I / 3 h / Heating 3: 87 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature View Scheme |
- 102651-78-5
hex-2-enal-N,N-dimethyl hydrazone
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 76 percent / CH3I / 3 h / Heating 2: 89 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature 4: 73 percent / CH3I / 3 h / Heating 5: 87 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature View Scheme |
- 102651-80-9
2,4-Heptadienal-dimethylhydrazon
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 73 percent / CH3I / 3 h / Heating 2: 87 percent / AgNO3, KOH / H2O; ethanol / Ambient temperature View Scheme |
- 33498-40-7
1,1-diethoxy-pent-2-ene
- 17175-86-9
2,4-heptadienoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: (i) ZnCl2, (ii) AcOH, (iii) (saponification) 2: AgNO3, OH- View Scheme |
2,4-Heptadienoic acid Specification
The CAS register number of 2,4-Heptadienoic acid is 17175-86-9. The systematic name about this chemical is (2E,4E)-hepta-2,4-dienoic acid. The molecular formula about this chemical is C7H10O2 and the molecular weight is 126.1552.
Physical properties about 2,4-Heptadienoic acid are: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): -0.89; (4)ACD/BCF (pH 5.5): 1.71; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.486; (13)Molar Refractivity: 36.15 cm3; (14)Molar Volume: 125.9 cm3; (15)Polarizability: 14.33x10-24cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 1.001 g/cm3; (18)Flash Point: 154.1 °C; (19)Enthalpy of Vaporization: 53.33 kJ/mol; (20)Boiling Point: 247.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00841 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\C=C\CC
(2)InChI: InChI=1/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+
(3)InChIKey: GYTGOLDQGRPDNF-VNKDHWASBY
(4)Std. InChI: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+
(5)Std. InChIKey: GYTGOLDQGRPDNF-VNKDHWASSA-N
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