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CAS No.: | 764-59-0 |
---|---|
Name: | hex-5-enal |
Article Data: | 55 |
Molecular Structure: | |
Formula: | C6H10O |
Molecular Weight: | 98.1448 |
Synonyms: | Hex-5-en-1-al; |
EINECS: | 212-127-0 |
Density: | 0.817 g/cm3 |
Boiling Point: | 128.4 °C at 760 mmHg |
Flash Point: | 18.8 °C |
PSA: | 17.07000 |
LogP: | 1.54160 |
Conditions | Yield |
---|---|
Stage #1: 5-Hexen-1-ol With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -78℃; for 1h; Swern oxidation; Inert atmosphere; Stage #2: With triethylamine In dichloromethane at -78 - 0℃; Swern oxidation; Inert atmosphere; | 100% |
Stage #1: 5-Hexen-1-ol With oxalyl dichloride; dimethyl sulfoxide at -78℃; for 1h; Stage #2: With triethylamine | 100% |
With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium sulfite In water; acetonitrile at 60℃; under 760.051 Torr; for 6h; | 95% |
N,N-dimethylhexa-1,5-dien-3-amine
A
hex-5-en-1-al
B
(E)-N,N-Dimethyl-1,5-hexadien-1-amin
C
dimethyl amine
Conditions | Yield |
---|---|
at 223.5℃; for 12h; | A n/a B 95.8% C n/a |
at 160.2 - 200.1℃; Yield given. Yields of byproduct given; | |
With N,N-dimethyl-cyclohexanamine at 160.2 - 200.1℃; under 3 Torr; Kinetics; Thermodynamic data; Cope rearrengament, ΔH*, ΔG*, ΔS*, Ea; |
5-hexenal dimethylhydrazone
hex-5-en-1-al
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether for 4h; Ambient temperature; | 92% |
hex-5-enyl hydroperoxide
A
5-Hexen-1-ol
B
(+/-)-2-pentanol
C
hex-5-en-1-al
Conditions | Yield |
---|---|
In pentane for 48h; Irradiation; | A 60% B 10% C 30% |
hex-5-enyl hydroperoxide
A
5-Hexen-1-ol
B
hex-5-en-1-al
C
5-hexenyl acetate
Conditions | Yield |
---|---|
With titanium(III) chloride; acetic acid In water for 2h; | A 56% B 27% C 17% |
Conditions | Yield |
---|---|
With chromium(V) | A 32% B 52% |
Conditions | Yield |
---|---|
In benzene for 48h; Irradiation; | A 44% B 43% C 13% |
cyclohexane
A
7-oxabicyclo(2.2.1)heptane
B
hex-5-en-1-al
C
cyclohexane-1,2-epoxide
D
cyclohexene
Conditions | Yield |
---|---|
With tetramethylbutane; oxygen at 753℃; under 15 Torr; for 0.00555556h; Product distribution; Kinetics; Further Variations:; Temperatures; | A 0.062% B 0.195% C 0.037% D 0.488% |
1,3-diaminocyclohexane
hex-5-en-1-al
Conditions | Yield |
---|---|
With acetic acid; sodium nitrite |
Conditions | Yield |
---|---|
With acetic acid; sodium nitrite |
The 5-Hexenal, with CAS registry number 764-59-0, has the systematic name of hex-5-enal. Its molecular weight is 98.143. And the chemical formula of this chemical is C6H10O. What's more, its EINECS is 212-127-0.
Physical properties of 5-Hexenal: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 9.35; (7)ACD/KOC (pH 5.5): 172.37; (8)ACD/KOC (pH 7.4): 172.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 29.75 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 11.79×10-24cm3; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 0.817 g/cm3; (19)Flash Point: 18.8 °C; (20)Enthalpy of Vaporization: 36.61 kJ/mol; (21)Boiling Point: 128.4 °C at 760 mmHg; (22)Vapour Pressure: 10.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCC\C=C
(2)InChI: InChI=1/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2
(3)InChIKey: USLRUYZDOLMIRJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2
(5)Std. InChIKey: USLRUYZDOLMIRJ-UHFFFAOYSA-N