Name: hex-5-enal
SKU: 764-59-0

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Organic Chemicals (3)
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Basic Information

Molecular Structure:
CAS No.:	764-59-0
Name:	hex-5-enal
Article Data:	55

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

Synthetic route

: 821-41-0
5-Hexen-1-ol

: 764-59-0
hex-5-en-1-al

Conditions

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%

: 75712-80-0
N,N-dimethylhexa-1,5-dien-3-amine

A: 764-59-0
hex-5-en-1-al

B: 82574-98-9
(E)-N,N-Dimethyl-1,5-hexadien-1-amin

C: 124-40-3
dimethyl amine

Conditions

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;

...Expand

: 88180-24-9
5-hexenal dimethylhydrazone

: 764-59-0
hex-5-en-1-al

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether for 4h; Ambient temperature;	92%

: 86692-87-7
hex-5-enyl hydroperoxide

A: 821-41-0
5-Hexen-1-ol

B: 6032-29-7
(+/-)-2-pentanol

C: 764-59-0
hex-5-en-1-al

Conditions

Conditions	Yield
In pentane for 48h; Irradiation;	A 60% B 10% C 30%

...Expand

: 86692-87-7
hex-5-enyl hydroperoxide

A: 821-41-0
5-Hexen-1-ol

B: 764-59-0
hex-5-en-1-al

C: 5048-26-0
5-hexenyl acetate

Conditions

Conditions	Yield
With titanium(III) chloride; acetic acid In water for 2h;	A 56% B 27% C 17%

...Expand

: 821-41-0
5-Hexen-1-ol

A: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

B: 764-59-0
hex-5-en-1-al

Conditions

Conditions	Yield
With chromium(V)	A 32% B 52%

: 86692-87-7
hex-5-enyl hydroperoxide

A: 821-41-0
5-Hexen-1-ol

B: 764-59-0
hex-5-en-1-al

C: 108-95-2
phenol

Conditions

Conditions	Yield
In benzene for 48h; Irradiation;	A 44% B 43% C 13%

...Expand

: 110-82-7
cyclohexane

A: 279-49-2
7-oxabicyclo(2.2.1)heptane

B: 764-59-0
hex-5-en-1-al

C: 286-20-4
cyclohexane-1,2-epoxide

D: 110-83-8
cyclohexene

Conditions

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%

...Expand

: 3385-21-5, 26772-34-9, 26883-70-5, 115092-57-4
1,3-diaminocyclohexane

: 764-59-0
hex-5-en-1-al

Conditions

Conditions	Yield
With acetic acid; sodium nitrite

: 6850-39-1
3-aminocyclohexanol

: 764-59-0
hex-5-en-1-al

Conditions

Conditions	Yield
With acetic acid; sodium nitrite

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Specification

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