1,5-Hexadiene supplier | CasNO.592-42-7

Name
1,5-Hexadiene
EINECS 209-754-7
CAS No. 592-42-7
Article Data260
CAS DataBase
Density 0.697 g/cm³
Solubility
Melting Point −141 °C(lit.)
Formula C₆H₁₀
Boiling Point 60 °C(lit.)
Molecular Weight 82.1454
Flash Point −17 °F
Transport Information
Appearance clear colorless to slightly yellow liquid
Safety 16-62
Risk Codes 11-36/37/38-65
Molecular Structure
Hazard Symbols F; Xn
Synonyms hexa-1,5-diene;Diallyl;Biallyl;
PSA 0.00000
LogP 2.13860

Synthetic route

: 6766-70-7
1,2-epithio-5-hexene

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With hydrogen sulfide; triphenylphosphine; methyltrioxorhenium(VII) In [D3]acetonitrile for 1h; Ambient temperature;	100%

: 77774-05-1
cis-1,2-Bis(iodomethyl)cyclobutane

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With tert.-butyl lithium In diethyl ether; pentane at -23℃; for 0.5h; Mechanism;	98%

: 503-17-3
dimethylacetylene

: Cp(η3-C3H5)2Cr

A: Cp(η6-Me6C6)Cr

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In pentane under Ar, addn. of the butyne to a suspension of the Cr complex in pentane at -78°C, stirred and allowed to warm to 0°C over 7 h (slow warming to suppress formation of hexamethylbenzene), held for 48 h; filtration, cooled to -78°C, crystn., elem. anal., the diene detn. by GC analysis;	A 94.6% B 86%

...Expand

: 762-73-2
trimethyl(allyl)stannane

: 106-95-6
allyl bromide

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
bis(η3-allyl-μ-chloropalladium(II)) In N,N,N,N,N,N-hexamethylphosphoric triamide Ambient temperature;	94%
With bis(η3-allyl-μ-chloropalladium(II)) In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 3h;	94%

: 762-73-2
trimethyl(allyl)stannane

: 106-95-6
allyl bromide

A: 592-42-7
1,5-Hexadien

B: 1066-44-0
trimethyltin bromide

Conditions

Conditions	Yield
With ((π-C3H5)PdCl)2 In N,N,N,N,N,N-hexamethylphosphoric triamide room temp.;	A 94% B n/a

...Expand

: Cp(η3-C3H5)2Cr

A: Cr(η(5)-C5H5)(η(6)-cyclooctatetraene)

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With cyclooctatetraene In pentane under Ar, addn. of the tetraene to a suspension of the Cr complex in pentane at -78°C, stirred for 3 d at -20°C, beige suspension; evapn. to dryness, residue sublimed at 60°C, high vac., elem. anal., detn. of the diene by GC analysis;	A 85.7% B 94%

: 2362-79-0
N-(4-chlorobenzylidene)aniline

: 106-95-6
allyl bromide

A: 592-42-7
1,5-Hexadien

B: 4-chloro-N-phenyl-α-2-propenylbenzenemethanamine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; indium(III) chloride In tetrahydrofuran chemo-electrochemical allylation;	A n/a B 93%

...Expand

: 166670-25-3
3,4-Dimethoxy-benzalanilin

: 106-95-6
allyl bromide

A: 592-42-7
1,5-Hexadien

B: N-[1-(3,5-dimethoxyphenyl)-3-butenyl]-N-phenylamine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; indium(III) chloride In tetrahydrofuran chemo-electrochemical allylation;	A n/a B 93%

...Expand

: 89184-58-7
Li(1+)*((H3C)2NCH2)2*(C5H5)V(C3H5)2(1-)=(Li((H3C)2NCH2)2)((C5H5)V(C3H5)2)

: 201230-82-2
carbon monoxide

A: tetracarbonyl(η(5)-cyclopentadienyl)vanadium(I)

B: 592-42-7
1,5-Hexadien

C: 110-18-9
N,N,N,N,-tetramethylethylenediamine

D: dilithium (η-cyclopentadienyl)tri(carbonyl)vanadate

Conditions

Conditions	Yield
In tetrahydrofuran reaction of CO with (LiTMEDA)(CpV(C3H5)2) in THF (Ar); formation of 1,5-hexadiene in the reaction soln., extn. of the residue with toluene, filtering off the solid and drying to give Li2(CpV(CO)3), evapn. of the filtrate to dryness and subliming the residue in a high vacuum at 80°C to give CpV(CO)4;	A 91% B 46% C n/a D n/a

...Expand

: Cp(η3-C3H5)2Cr

: 501-65-5
diphenyl acetylene

A: Cp(η6-Ph6C6)Cr

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In pentane under Ar, addn. of the acetylene to a suspension of the Cr complex in pentane at -78°C, stirred and allowed to warm to 0°C over 7 h , held for 48 h; filtration, cooled to -78°C, crystn., elem. anal., the diene detn. by GC analysis;	A 88.3% B 65.2%

...Expand

: 106-95-6
allyl bromide

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With copper acetylacetonate; tetraethylammonium perchlorate In N,N-dimethyl-formamide electrolysis; 2 F/mol;;	88%
With copper acetylacetonate; tetraethylammonium perchlorate In N,N-dimethyl-formamide Product distribution; other electrolytic conditions, reagents; other allyl halides;	88 % Chromat.
With magnesium In diethyl ether for 0.1h; Product distribution; yield of Wurtz reaction product as a function of the nature of trhe halide and experimental conditions;	10 g

: 14370-82-2
allyl phenyl selenide

A: 592-42-7
1,5-Hexadien

B: 1666-13-3
diphenyl diselenide

Conditions

Conditions	Yield
at 600℃; under 20 Torr; for 0.0333333h;	A 67% B 88%

: 16212-05-8
(allylsulfonyl)benzene

: 1730-25-2
allylmagnesium bromide

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With triphenylphosphine; copper dichloride In tetrahydrofuran at 60℃;	87%

: Cp(η3-C3H5)2Cr

: 74-86-2
acetylene

A: Cp(η6-C6H6)Cr

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In pentane under Ar, react. vessel with suspension of the Cr complex in pentane at -78°C connected with a gas burette filled with acetylene, warmed slowly to 0.degree,C, stirred for 48 h under absorption of acetylene, brown suspension; filtration, cooled to -78°C, crystn., elem. anal., the diene detn. by GC analysis;	A 86.2% B 85%

...Expand

: 538-51-2
benzylidene phenylamine

: 106-95-6
allyl bromide

A: 592-42-7
1,5-Hexadien

B: 66489-79-0
phenyl-(1-phenyl-but-3-enyl)-amine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; indium(III) chloride In tetrahydrofuran chemo-electrochemical allylation;	A n/a B 86%

...Expand

: [(C5H5)V(C3H5)2]

: 201230-82-2
carbon monoxide

A: tetracarbonyl(η(5)-cyclopentadienyl)vanadium(I)

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In tetrahydrofuran reaction of CO with CpV(C3H5)2 in THF (Ar); formation of 1,5-hexadiene in the condensate of the reaction soln., subliming the reaction residue in a high vacuum at 80°C to give CpV(CO)4;	A 86% B 75%

...Expand

: cis-{(PhCH2)2Co(III)(2,2'-bipyridine)2}ClO4

: 106-95-6
allyl bromide

A: 747369-48-8
(Co(bpy)2Br)(1+)

B: 592-42-7
1,5-Hexadien

C: 768-56-9
4-Phenyl-1-butene

D: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
In [D3]acetonitrile Kinetics; Irradiation (UV/VIS); Degasses condition, 298 K, 11 h;; detected by NMR-spectroscopy;;	A n/a B 36% C 34% D 85%

...Expand

: cis-{(PhCH2)2Co(bpy)2}(1+)

: 106-95-6
allyl bromide

A: 747369-48-8
(Co(bpy)2Br)(1+)

B: 592-42-7
1,5-Hexadien

C: 768-56-9
4-Phenyl-1-butene

D: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
In [D3]acetonitrile Kinetics; Irradiation (UV/VIS); Degasses condition, 298 K, 11 h;; detected by NMR-spectroscopy;;	A n/a B 36% C 34% D 85%

...Expand

: Cp(η3-C3H5)2Cr

: 106-99-0
buta-1,3-diene

A: (CpCr)2(μ-η3,η3-C8H12)

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In diethyl ether under Ar, soln. of the Cr complex in diethyl ether treated with a 10-fold excess of butadiene at -30°C, warmed to -5°C over 12 h; evapn., extn. of the residue (pentane), cooling to -78°C, crystn., elem. anal., detn. of the diene by GC analysis;	A 72% B 83%

...Expand

: 72707-66-5
2-(bromomethyl)acrylic acid

: 106-95-6
allyl bromide

A: 592-42-7
1,5-Hexadien

B: 73505-05-2
2-methylene-5-hexenoic acid

Conditions

Conditions	Yield
With manganese; copper dichloride In tetrahydrofuran; water for 16h; Ambient temperature; Yield given;	A n/a B 79%
With manganese; copper dichloride In tetrahydrofuran; water for 16h; Ambient temperature; Yields of byproduct given;	A n/a B 79%

...Expand

: Cp(η3-C3H5)2Cr

: 928-49-4
hex-3-yne

A: Cp(η6-Et6C6)Cr

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In pentane under Ar, addn. of the hexyne to a suspension of the Cr complex in pentane at -78°C, stirred and allowed to warm to 0°C over 7 h , held for 48 h; filtration, cooled to -78°C, crystn., elem. anal., the diene detn. by GC analysis;	A 77.9% B 40%

...Expand

: 106-95-6
allyl bromide

: 836-41-9
p-methoxybenzylidene-phenylamine

A: 592-42-7
1,5-Hexadien

B: N-(1-(4-methoxyphenyl)but-3-enyl)benzenamine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; indium(III) chloride In tetrahydrofuran chemo-electrochemical allylation;	A n/a B 76%

...Expand

: (η5-t-C4H9C5H4)(η3-C3H5)2Cr

: 74-86-2
acetylene

A: (η5-t-C4H9C5H4)(η6-C6H6)Cr

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In diethyl ether under Ar, react. of the Cr complex with acetylene saturated diethyl ether at -78°C, stirred and allowed to warm to 0°C over 7 h , held for 48 h; filtration, cooled to -78°C, crystn., elem. anal., the diene detn. by GC analysis;	A 60% B 75%

...Expand

: 629-03-8
1 ,6-dibromohexane

A: 592-41-6
1-hexene

B: 110-54-3
hexane

C: 592-42-7
1,5-Hexadien

D: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With tetramethylammonium perchlorate In 2,2,2-trifluoroethanol; N,N-dimethyl-formamide Electrolysis;	A 4% B 75% C 5% D 18%

...Expand

: Pd(η1-C3H5)(η3-C3H5)(TCNE)

: 603-35-0
triphenylphosphine

A: 17764-64-6
[(PPh3)2Pd*tetracyanoethylene]

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
In dichloromethane 0°C, then 8 h room temp.; progress of reaction studied by (1)H- and (31)P-NMR; recryst. from CH2Cl2 pentane, dried in vacuo, elem. anal.;	A 71.9% B n/a

...Expand

: Cp(η3-C3H5)2Cr

A: ((C5H5)CrI2)2

B: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With I2 In diethyl ether; pentane under Ar, suspension of the Cr complex in pentane at -78°C, addn. of I2 in diethylether, warming up to 0°C, stirring overnight, liberation of hexadiene, pptn. of the product Cr complex; elem. anal., GC detn. of product gas;	A 71.3% B 33%

: 16212-05-8
(allylsulfonyl)benzene

: 18854-63-2
allylmagnesium iodide

: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
With triphenylphosphine; copper dichloride In tetrahydrofuran at 60℃;	70%

: 592-42-7
1,5-Hexadien

: 13412-55-0
triphenylmethylacetonitrile oxide

: 111379-53-4
5-(3-Butenyl)-3-(triphenylmethyl)-2-isoxazoline

Conditions

Conditions	Yield
In benzene for 48h; Heating;	100%
In benzene at 25℃; Yield given;

: 592-42-7
1,5-Hexadien

: 694-53-1
phenylsilane

: [(phenylsilyl)methyl]cyclopentane

Conditions

Conditions	Yield
With <(CH3)5>2YCH3*THF In cyclohexane for 1h; Mechanism; Ambient temperature; other dienes; other silanes;	100%
With (C5Me5)2YCH3*THF In cyclohexane for 1h; Ambient temperature;	100%
With <(CpTMS)2YMe>2 In cyclohexane for 4h; Ambient temperature;	98%

: 592-42-7
1,5-Hexadien

: 280-64-8
9-bora-bicyclo[3.3.1]nonane

: 88703-69-9
9,9'-hexane-1,6-diyl-bis-9-bora-bicyclo[3.3.1]nonane

Conditions

Conditions	Yield
In tetrahydrofuran at 40℃; for 24h; Schlenk technique; Inert atmosphere;	100%
In tetrahydrofuran at 20℃; for 3h; Addition;
In tetrahydrofuran at 20℃; for 4.5h; Addition; Hydroboration;
In tetrahydrofuran at 20℃; for 3h;

: 592-42-7
1,5-Hexadien

: 860438-41-1
5-chloro-6-(pentafluoro-λ6-sulfanyl)hex-1-ene

Conditions

Conditions	Yield
With pentafluorosulfanyl chloride; triethyl borane In hexane at -30 - 20℃;	100%

: 592-42-7
1,5-Hexadien

: [Y(η5:η1-C5Me4SiMe2NCMe3)(THF)(μ-H)]2

: [Y(η5:η1-C5Me4SiMe2NCMe3)(CH2CH(CH2)4)(THF)]

Conditions

Conditions	Yield
In benzene-d6 reaction in NMR tube, at room temp., for 3 h; solvent was removed in vac.; NMR;	100%

: 592-42-7
1,5-Hexadien

: 1888-89-7, 74892-51-6, 74892-53-8, 131722-62-8
1,5-hexadiene diepoxide

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 16h;	99%
With 3-chloro-benzenecarboperoxoic acid at 10 - 20℃; for 19h;	95.1%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane	87%

: 592-42-7
1,5-Hexadien

: 1757-42-2, 6195-92-2
3-methyl-cyclopentanone

Conditions

Conditions	Yield
With Pd(II)(15-crown-5-phen)Cl2; dinitrogen monoxide In N,N-dimethyl acetamide; water at 150℃; under 2250.23 Torr; for 18h;	99%

: 592-42-7
1,5-Hexadien

: 30448-78-3
p-methoxyphenylbutadiene

: 1175163-69-5
1,1'-[(2Z,10Z)-5,8-bis(methylene)dodeca-2,10-diene-1,12-diyl]bis(4-methoxybenzene)

Conditions

Conditions	Yield
With cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane]; zinc(II) iodide; zinc In dichloromethane at 20℃; Inert atmosphere;	99%

: 592-42-7
1,5-Hexadien

: 5194-51-4
(2E,4E)-hexa-2,4-diene

Conditions

Conditions	Yield
With Polystyrene-supported 4-tert-butyl-2-(diisopropylphosphino)-1H-imidazole and ruthenium complex In [(2)H6]acetone at 70℃; for 7h; Reagent/catalyst; Inert atmosphere; Glovebox; stereoselective reaction;	98%
With tris(η3-allyl)chromium In n-heptane at 59.9℃; Rate constant; Equilibrium constant;

: 592-42-7
1,5-Hexadien

: (2R,5RS)-1,2,5,6-hexanetetrol

Conditions

Conditions	Yield
With potassium carbonate; potassium hexacyanoferrate(III); potassium osmate(VI); 1,4-bis(9-O-dihydroquinidine)phthalazine In water; tert-butyl alcohol at 0 - 6℃; for 29h; Sharpless dihydroxylation;	98%

: 592-42-7
1,5-Hexadien

: 17412-15-6
pyridazine-4,5-dicarbonitrile

: 8,9-dicyanotricyclo[4.3.1.03,7]dec-8-ene

Conditions

Conditions	Yield
In chloroform at 110℃; Diels-Alder reaction;	98%

: 5944-41-2
2-tert-butylpyridine

: 592-42-7
1,5-Hexadien

: C15H23N

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate; C42H51N3PSc In chlorobenzene at 100℃; for 5h; diastereoselective reaction;	98%

: 592-42-7
1,5-Hexadien

: 103-73-1
Phenetole

: C14H20O

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 3h; stereoselective reaction;	98%

: 592-42-7
1,5-Hexadien

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 40735-23-7
1,1,1,2,2,3,3,4,4,11,11,12,12,13,13,14,14,14-octadecafluoro-6,9-diiodotetradecane

Conditions

Conditions	Yield
With sodiumsulfide nonahydrate; dibenzoyl peroxide at 80℃; for 4h;	97.1%
With 2,2'-azobis(isobutyronitrile)

: 592-42-7
1,5-Hexadien

: 134692-33-4
2,5-diiodomethyltetrahydrofuran

Conditions

Conditions	Yield
With iodine; sodium hydrogencarbonate In tetrahydrofuran; diethyl ether; water at 20℃; for 4h;	97%
With iodine; sodium hydrogencarbonate In tetrahydrofuran; water Inert atmosphere;

: 16453-18-2
3,6-bis(trifluoromethyl)-1,2,4,5-tetrazine

: 592-42-7
1,5-Hexadien

: 4-(but-3'-enyl)-1,4-dihydro-3,6-bis(trifluoromethyl)-pyridazine

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	97%

: 592-42-7
1,5-Hexadien

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 2,3,10,11-tetramethyl-5,8-dimethylene-2,10-dodecadiene

Conditions

Conditions	Yield
With tetrabutylammonium borohydride; zinc(II) iodide; cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane] In dichloromethane at 25℃; for 16h;	97%
With tetrabutylammonium borohydride; zinc(II) iodide; cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane] In dichloromethane at 20℃; for 20h;	97%
With cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane]; zinc(II) iodide; zinc In dichloromethane for 20h;	57%

: 14104-20-2
silver tetrafluoroborate

: chlorobis(cyclooctene)rhodium(I) dimer

: 592-42-7
1,5-Hexadien

: 471254-42-9
[Rh(4,4'-dimethyl-2,2'-bipyridine)(hexadiene)]BF4

Conditions

Conditions	Yield
In methanol; dichloromethane under N2, excess of diene was added to MeOH suspn. of Rh-complex, stirring at room temp. for 1.5 h, 2 equiv. of N-base was added in CH2Cl2, stirring at room temp. for 1 h, 2 equiv. of AgBF4 was added dropwise in CH2Cl2, stirring at room temp. for 1 h; soln. was filtered, concd., Et2O was added, solid was filtered off, washed with Et2O, dried in vac., elem. anal.;	97%

...Expand

: 26042-63-7
silver(I) hexafluorophosphate

: (2-methylallyl)palladium-chloride dimer

: 592-42-7
1,5-Hexadien

: η(4)-hexa-1,5-diene(η(3)-2-methylallyl)palladium hexafluorophosphate

Conditions

Conditions	Yield
In dichloromethane N2-atmosphere; elem. anal.;	97%

...Expand

: 3678-63-5
4-chIoro-2-methylpyridine

: 592-42-7
1,5-Hexadien

: C12H16ClN

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate; C42H51N3PSc In chlorobenzene at 100℃; for 12h; diastereoselective reaction;	97%

: 592-42-7
1,5-Hexadien

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

: C17H26O

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 1.5h; stereoselective reaction;	97%

: 592-42-7
1,5-Hexadien

: 623-12-1
4-chloromethoxybenzene

: C13H17ClO

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 2h; stereoselective reaction;	97%

: 2398-37-0
3-methoxyphenyl bromide

: 592-42-7
1,5-Hexadien

: C13H17BrO

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 6h; stereoselective reaction;	97%

: 592-42-7
1,5-Hexadien

: 613-97-8
N-methyl-N-ethylaniline

: C15H23N

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 50℃; for 2h; stereoselective reaction;	97%

: 491-34-9
N-methyl-1,2,3,4-tetrahydroquinoline

: 592-42-7
1,5-Hexadien

: C16H23N

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 50℃; for 23h; stereoselective reaction;	97%

: 592-42-7
1,5-Hexadien

: 38749-79-0
3-bromo-2-picoline

: C12H16BrN

Conditions

Conditions	Yield
With C42H51N3PSc; trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 100℃; for 5h; diastereoselective reaction;	96%

: 592-42-7
1,5-Hexadien

: 613-37-6
4-methoxylbiphenyl

: C19H22O

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 1h; stereoselective reaction;	96%

: 104-92-7
1-bromo-4-methoxy-benzene

: 592-42-7
1,5-Hexadien

: C13H17BrO

Conditions

Conditions	Yield
With C19H16*C24BF20; C23H40NScSi2 In chlorobenzene at 70℃; for 4h; stereoselective reaction;	96%

1,5-Hexadiene Consensus Reports

1,5-HEXADIENE is reported in EPA TSCA Inventory.

1,5-Hexadiene Specification

The 1,5-Hexadiene, with the CAS registry number 592-42-7 and EINECS registry number 209-754-7, has the systematic name of hexa-1,5-diene. It is a kind of clear colorless to slightly yellow liquid, and belongs to the following product categories: Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of this chemical is C₆H₁₀. What's more, it should be stored at 0-6°C.

The physical properties of 1,5-Hexadiene are as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.93; (6)ACD/BCF (pH 7.4): 78.93; (7)ACD/KOC (pH 5.5): 793.72; (8)ACD/KOC (pH 7.4): 793.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 29.29 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 11.61×10^-24cm³; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 0.697 g/cm³; (19)Enthalpy of Vaporization: 28.82 kJ/mol; (20)Boiling Point: 58 °C at 760 mmHg; (21)Vapour Pressure: 226 mmHg at 25°C.

Preparation and uses of 1,5-Hexadiene: This chemical can be prepared by 3-chloro-1-propylene and magnesium. Drop Anhydrous 3-chloro-1-propylene and anhydrous ether solution into the reaction flask in the presence of magnesium chips, then add iodine with stiring. Drop 5 % cold hydrochloric acid solution to dissove the magnesium chloride. Skim the solution and get the ether extract, and then distillate, washing and dry. Collect 59-60 °C distillation cut after fractionation, and that is the 1,5-Hexadiene. And this chemical is usually used in the organic synthesis.

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates eyes, respiratory system and skin. What's more, it may cause lung damage if swallowed.Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CC\C=C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
(3)InChIKey: PYGSKMBEVAICCR-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	> 11pph/4H (110000ppm)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	National Technical Information Service. Vol. OTS0571883,

Product Name

1,5-Hexadiene

Synthetic route

1,5-Hexadiene Consensus Reports

1,5-Hexadiene Specification

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