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5-Hexenal

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Name

5-Hexenal

EINECS 212-127-0
CAS No. 764-59-0 Density 0.817 g/cm3
PSA 17.07000 LogP 1.54160
Solubility N/A Melting Point N/A
Formula C6H10O Boiling Point 128.4 °C at 760 mmHg
Molecular Weight 98.1448 Flash Point 18.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 764-59-0 (hex-5-enal) Hazard Symbols N/A
Synonyms

Hex-5-en-1-al;

Article Data 55

5-Hexenal Synthetic route

821-41-0

5-Hexen-1-ol

764-59-0

hex-5-en-1-al

Conditions
ConditionsYield
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
ConditionsYield
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;
88180-24-9

5-hexenal dimethylhydrazone

764-59-0

hex-5-en-1-al

Conditions
ConditionsYield
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
ConditionsYield
In pentane for 48h; Irradiation;A 60%
B 10%
C 30%
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
ConditionsYield
With titanium(III) chloride; acetic acid In water for 2h;A 56%
B 27%
C 17%
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
ConditionsYield
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
ConditionsYield
In benzene for 48h; Irradiation;A 44%
B 43%
C 13%
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
ConditionsYield
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%
Conditions
ConditionsYield
With acetic acid; sodium nitrite
6850-39-1

3-aminocyclohexanol

764-59-0

hex-5-en-1-al

Conditions
ConditionsYield
With acetic acid; sodium nitrite

5-Hexenal 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

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