1,2-Butadiene supplier | CasNO.590-19-2

Name
1,2-Butadiene
EINECS 209-674-2
CAS No. 590-19-2
Article Data92
CAS DataBase
Density 0.612 g/cm³
Solubility Soluble in ethanol, ether and benzene, insoluble in water
Melting Point -136.2oC
Formula C₄H₆
Boiling Point 10.7 °C at 760 mmHg
Molecular Weight 54.0916
Flash Point
Transport Information UN 2037 2.1
Appearance colorless gas
Safety 16-23-24/25
Risk Codes 12
Molecular Structure
Hazard Symbols F+
Synonyms 1-Methylallene;Allene, methyl-;Butadiene-1,2;Methylallene;
PSA 0.00000
LogP 1.34740

Synthetic route

: 41998-65-6
3-methylpent-4-yn-2-ol

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 660℃; under 0.001 Torr;	98%

: 3100-04-7
Methylcyclopropen

A: 503-17-3
dimethylacetylene

B: 590-19-2
2,3-dimethylbutene

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

Conditions

Conditions	Yield
With sulphur hexafluoride at 230.2℃; under 20.5 Torr; for 1.5h; Product distribution; Rate constant; Kinetics; var. time, var. pressure;	A 91.31% B 1.84% C 6.85%
Product distribution; Quantum yield; Irradiation;
In gas under 0.1 - 6 Torr; Mechanism; Product distribution; Irradiation;

...Expand

: 21020-24-6
3-chloro-but-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
	61%

: 624-65-7
2-propynyl chloride

: dimethyldiazene

A: 107-00-6
but-1-yne

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 20℃; under 50 Torr; Kinetics; radical cross-combination reaction; Photolysis;	A 60% B 40%

...Expand

: 689-97-4
3-buten-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With iron at 23 - 110℃; under 29420.3 Torr; Hydrogenation.in Gegenwart eines Polymerisationsinhibitors;

: 107-00-6
but-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With cefaloridine at 280℃;
Cs-exchanged H(x)Cs30Na19(AlO2)54(SiO2)138 zeolite Ambient temperature;

: 107-00-6
but-1-yne

A: 590-19-2
2,3-dimethylbutene

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

Conditions

Conditions	Yield
at 275℃; Leiten ueber Floridin;

: 503-17-3
dimethylacetylene

: 50-59-9
cefaloridine

A: 107-00-6
but-1-yne

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 280℃;

...Expand

: 503-17-3
dimethylacetylene

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With cefaloridine at 280℃;

: 513-35-9
2-methyl-but-2-ene

A: 187737-37-7
propene

B: 74-85-1
ethene

C: 590-19-2
2,3-dimethylbutene

D: 78-79-5
isoprene

Conditions

Conditions	Yield
at 750℃; under 15 Torr;

...Expand

: 513-35-9
2-methyl-but-2-ene

A: 91-20-3
naphthalene

B: 74-85-1
ethene

C: 590-19-2
2,3-dimethylbutene

D: 71-43-2
benzene

Conditions

Conditions	Yield
at 750℃; Produkt 5:Anthracen;

...Expand

: 92-52-4
biphenyl

A: 590-19-2
2,3-dimethylbutene

B: 71-43-2
benzene

Conditions

Conditions	Yield
at 1300 - 1500℃; Pyrolysis;

: 2465-56-7
methylene

: 142-96-1
dibutyl ether

A: 628-28-4
butyl methyl ether

B: 590-19-2
2,3-dimethylbutene

C: 18636-66-3
n-butyl n-pentyl ether

...Expand

: 52111-97-4
2,3-dibromo-but-1-ene

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With ethanol; zinc

: 126-73-8
phosphoric acid tributyl ester

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 500℃; Pyrolysis;

: 64-17-5
ethanol

A: 590-19-2
2,3-dimethylbutene

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
Mechanism;

: 78-92-2, 15892-23-6
iso-butanol

A: 463-51-4
Ketene

B: 590-19-2
2,3-dimethylbutene

C: 67-64-1
acetone

Conditions

Conditions	Yield
at 600℃;

...Expand

: 74-98-6
propane

A: 187737-37-7
propene

B: 34557-54-5
methane

C: 74-85-1
ethene

D: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 700 - 1000℃; bei der termischen Zersetzung; Produkt 5: Benzol; Produkt 6: Acetylen; Produkt 7: Kohlenstoff; Produkt 8: Wasserstoff;

...Expand

: 79630-70-9
1,2,2,3-tetrachloro-butane

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With zinc copper; ethanol

: 20629-39-4, 20629-62-3, 79629-38-2
1,2-dibromo-2-butene

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With ethanol; zinc

: 64-17-5
ethanol

: 75-07-0
acetaldehyde

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With aluminum oxide at 360 - 460℃;

: 106-97-8
n-butane

A: 107-01-7
butene-2

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
nach dem Houdry-Prozess;

: 71-36-3
butan-1-ol

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 600℃;

: 109-68-2
2-pentene

A: 504-60-9
penta-1,3-diene

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 800℃; under 147.1 Torr; bei Verduennung mit Stickstoff und Kontaktzeit von 0.07 sec;

: 109-68-2
2-pentene

A: 591-96-8
penta-2,3-diene

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 760 - 833℃; bei Verduennung mit Wasserdampf und einer Kontaktzeit von 0.005-0.1 sec;

: 109-68-2
2-pentene

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 650℃; bei Verduennung mit Wasserdampf und Kontaktzeit von 0.4-1 sec;

: C18H16

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 750℃; under 0.001 Torr;

: 107-00-6
but-1-yne

A: 503-17-3
dimethylacetylene

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
tetrahydrofuran; samarium at 79.9℃;

: 107-00-6
but-1-yne

A: 503-17-3
dimethylacetylene

B: 590-19-2
2,3-dimethylbutene

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

Conditions

Conditions	Yield
calcium oxide at 30℃; Product distribution;

...Expand

: 503-17-3
dimethylacetylene

A: 106-98-9
1-butylene

B: 590-18-1
(Z)-2-Butene

C: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With hydrogen; tetrahydrofuran; samarium variation of rare earth catalyst, selectivity;
With hydrogen; tetrahydrofuran; samarium at 79.9℃;

...Expand

: 590-19-2
2,3-dimethylbutene

: 200010-86-2
2-(methyldiphenylsilyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: (S)-3-(diphenylmethylsilyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-butene

Conditions

Conditions	Yield
With catalyst:Pd(dba)2/R-1,1'-bina-2yl-P(3,5C6H3-Me2)2 In toluene 0°C, 22-90 h, bis(dibenzylideneacetone) palladium / (R)-(1,1')binaphthalenyl-2-yl-bis-(3,5-dimethyl-phenyl)-phosphane as catalyst;	96%

: 590-19-2
2,3-dimethylbutene

: [IrRu(CO)4(μ-CH2)(bis(diphenylphosphino)methane)2][BF4]

: [IrRu(CO)4(κ1:κ1-MeCH=CCH2CH2)(bis(diphenylphosphino)methane)2][BF4]

Conditions

Conditions	Yield
In dichloromethane (Ar, Schlenk) methylallene was passed through a stirred soln. of complexin CH2Cl2 for 1 min at a rate 0.1 mL/s, stirred under methylallene atm. at ambient temp. for 24 h; reduced in vol., diethyl ether was added, ppt. was washed with diethyl ether (twice) and dried in vac.; elem. anal.;	94%

: 590-19-2
2,3-dimethylbutene

: 612835-98-0
(1R,2R,6S,8R)-4-(Dimethyl-phenyl-silanyl)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.02,6]decane

: (C6H7(C(CH3)2)(CH3)O2)BC(CH2)CH(Si(CH3)2C6H5)CH3

Conditions

Conditions	Yield
With (C5H5)(allyl)Pd; (R)-Ph2PC10H6C10H7 In toluene allene (1.2 equiv.) added to mixt. of P ligand and Pd compd. in toluene at room temp.; (R)-silylborane added; mixt. stirred at room temp. for 8-24 h; bulb-to-bulb distd. under vac.; ratio of (R,S) to (R,R) = 93:7;	92%

: (η5-C5H5)(Me)(NO)(PPh3)rhenium(II)

: 590-19-2
2,3-dimethylbutene

: (C5H5)Re(NO)(P(C6H5)3)(H2CCCHCH3)(1+)*BF4(1-)={(C5H5)Re(NO)(P(C6H5)3)(H2CCCHCH3)}{BF4}

Conditions

Conditions	Yield
With HBF4Et2O In chlorobenzene under inert gas; addn. of HBF4OEt2 to a soln of (C5H5)Re(NO)(PPh3)(CH3) at -45°C with stirring, after 30 min addn. of 1,2-butadiene, stirring at room temp. for 5 d;; evapn., pptn., filtration, dissolving (CH2Cl2), addn. to hexane, pptn., crystn. (CH2Cl2/ether); elem. anal.;	90%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 590-19-2
2,3-dimethylbutene

: ((C5H4N)2)Ni(CH2C(CHCH3)COO)

Conditions

Conditions	Yield
With [2,2]bipyridinyl; carbon dioxide In tetrahydrofuran MeCH=C=CH2 was added at -78°C to a suspn. of (COD)2Ni and bipy in THF, reaction vessel was evacuated, CO2 admitted at -78°C, mixt. was warmed at 20°C and stirred for 48 h; soln. was concd. in vacuo, pentane added, ppt. was filtered off, washedwith pentane and dried in vacuo; elem. anal.;	88.5%

: 590-19-2
2,3-dimethylbutene

: 10124-62-6
1,2-dimethoxy-1,1,2,2-tetramethyldisilane

: 2,3-bis(dimethylmethoxysilyl)but-1-ene

Conditions

Conditions	Yield
With butene-2; tetrakis(triphenylphosphine) palladium(0) at 120℃; for 15h;	88%
With tetrakis(triphenylphosphine) palladium(0) In benzene at 120℃; for 15h;	88%

: 590-19-2
2,3-dimethylbutene

: 185990-03-8
dimethylphenyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

: 2-[2-(Dimethyl-phenyl-silanyl)-1-methylene-propyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Conditions

Conditions	Yield
With ethriol phosphite; tris(dibenzylideneacetone)dipalladium (0) In tetrahydrofuran at 80℃; for 9h; Addition;	88%
With catalyst: Pd2(dba)3 + etpo In tetrahydrofuran heating catalyst at 80°C for 5 min, addn. of diene and B-compound, heating at 80°C for 9 h; TLC;	88%

: 590-19-2
2,3-dimethylbutene

: 98-86-2
acetophenone

A: (3R,4R)-4-hydroxy-3-methyl-4-phenylpentan-2-one

B: (S,S)-4-hydroxy-3-methyl-4-phenylpentan-2-one

Conditions

Conditions	Yield
Stage #1: 2,3-dimethylbutene; acetophenone With (R)-Cl-MeO-BiPhep; bis(pinacol)diborane; copper(l) chloride; sodium t-butanolate In tetrahydrofuran at 22℃; for 18h; Inert atmosphere; Stage #2: With sodium perborate In tetrahydrofuran; water at 22℃; for 1h; Inert atmosphere; enantioselective reaction;	A n/a B 88%

...Expand

: 590-19-2
2,3-dimethylbutene

: 18107-29-4
methoxypentamethyldisilane

: 3-(Methoxy-dimethyl-silanyl)-2-trimethylsilanyl-but-1-ene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In benzene at 120℃; for 15h;	87%

: 590-19-2
2,3-dimethylbutene

: 98-86-2
acetophenone

: (S,S)-4-hydroxy-3-methyl-4-phenylpentan-2-one

Conditions

Conditions	Yield
Stage #1: 2,3-dimethylbutene; acetophenone With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(pinacol)diborane; copper(l) chloride; sodium t-butanolate In tetrahydrofuran at 22℃; for 18h; Inert atmosphere; Stage #2: With sodium perborate In tetrahydrofuran; water at 22℃; for 1h; Inert atmosphere; diastereoselective reaction;	87%

: 590-19-2
2,3-dimethylbutene

: 18107-32-9
1,1,2,2-tetramethoxy-1,2-dimethyl-disilane

: 2,3-Bis-(dimethoxy-methyl-silanyl)-but-1-ene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In benzene at 120℃; for 15h;	86%

: [RhOs(CO)4(μ-CH2)(dppm)2][BF4]

: 590-19-2
2,3-dimethylbutene

: [RhOs(CO)2(μ-η3:η1-CH(CH3)C(CH2)2)(dppm)2][BF4]

Conditions

Conditions	Yield
With trimethylamine oxide In dichloromethane byproducts: CO; (Ar); passing methylallene through a soln. of cluster in CH2Cl2, addn. of amine oxide, stirring for 30 min; filtration, addn. of pentane, washing ppt. with ether, drying in argon; elem. anal.;	86%

: 590-19-2
2,3-dimethylbutene

: [IrOs(CO)4(μ-Ph2PCH2PPh2)2][BF4]

: 1380397-20-5
[IrOs(CO)3(μ-η3:κ1-CH2CCHCH3)(μ-Ph2PCH2PPh2)2][BF4]

Conditions

Conditions	Yield
In dichloromethane byproducts: CO; (Ar); CH3CHCCH2 passed through a soln. of Ir complex for 1 min, stirred under CH3CHCCH2 for 4 h at ambient temp.; concd., pptd. (Et2O), washed (Et2O), dried (vac.); elem. anal.;	85%
With (CH3)3NO In not given (Ar);

: 590-19-2
2,3-dimethylbutene

: 13528-88-6
1,1,2-trichloro-1,2,2-trimethyldisilane

: 2,3-Bis-(dichloro-methyl-silanyl)-but-1-ene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In 1,3,5-trimethyl-benzene at 100℃; for 5h;	84%

: 590-19-2
2,3-dimethylbutene

: 4518-98-3
1,1,2,2-tetrachloro-1,2-dimethyldisilane

: 2,3-Bis-(dichloro-methyl-silanyl)-but-1-ene

Conditions

Conditions	Yield
With butene-2; tetrakis(triphenylphosphine) palladium(0) at 100℃; for 5h;	84%

: 590-19-2
2,3-dimethylbutene

n-C8H17X: n-C8H17X

A: 59409-51-7
3-methyl-undeca-1,2-diene

B: 56956-47-9
2,3-dodecadiene

C: 77764-66-0
3-methylundec-1-yne

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane -78 deg C, 30 min -> room temperature;	A 15% B 84% C 1%

...Expand

: 590-19-2
2,3-dimethylbutene

: 555-16-8
4-nitrobenzaldehdye

: 1-(4-nitrophenyl)-2-methylbut-3-en-1-ol

Conditions

Conditions	Yield
With isopropyl alcohol; caesium carbonate In ethyl acetate; 1,2-dichloro-ethane at 75℃; for 14h;	83%

: Pt(2+)*CH3(1-)*C8H12={PtCH3(C8H12)}(1+)

: 590-19-2
2,3-dimethylbutene

: hydrotris(1H-pyrazol-1-yl)borate(1-)

: {HB(C3H3N2)3}(1-)*Pt(2+)*CH3CHCCH2*CH3(1-)={HB(C3H3N2)3}Pt(CH3)(CH3CHCCH2)

Conditions

Conditions	Yield
In not given in react. of (HB(pz)3)(1-) with the solvated cation (Pt(CH3)(COD))(1+) an insol. and probably polymeric product is formed; this reacts readily with substituted allene;;	83%
In not given in react. of (HB(pz)3)(1-) with the solvated cation (Pt(CH3)(COD))(1+) an insol. and probably polymeric product is formed; this reacts readily with substituted allene;;	83%

...Expand

: 619-73-8
4-nitrobenzyl chloride

: 590-19-2
2,3-dimethylbutene

: 1-(4-nitrophenyl)-2-methylbut-3-en-1-ol

Conditions

Conditions	Yield
caesium carbonate In ethyl acetate; 1,2-dichloro-ethane at 75℃; for 14h;	82%

: 590-19-2
2,3-dimethylbutene

: 766-05-2
cyclohexane carbonitrile

: 73183-34-3
bis(pinacol)diborane

: C17H32BNO2

Conditions

Conditions	Yield
Stage #1: 2,3-dimethylbutene; cyclohexane carbonitrile; bis(pinacol)diborane With (2R)-1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene; mesitylcopper(I) In methanol; diethyl ether at -40℃; for 10h; Stage #2: With aluminium(III) triflate In methanol for 2h; Stage #3: With methanol; lithium borohydride at -78℃; for 4h; stereoselective reaction;	81%

...Expand

: 548757-70-6, 33154-75-5, 12126-69-1, 548757-71-7, 39330-67-1
[Ni(1,5,9-cyclododecatriene)]

: 590-19-2
2,3-dimethylbutene

: 23743-26-2
1,2-bis-(dicyclohexylphosphino)ethane

: ((C6H11)2PCH2CH2P(C6H11)2)Ni(CH2C(CHCH3)COO)

Conditions

Conditions	Yield
With carbon dioxide In tetrahydrofuran MeCH=C=CH2 was added at -78°C to a suspn. of (CDT)Ni and diphosphine in THF, reaction vessel was evacuated, CO2 admitted at -78°C, mixt. was warmed at 20°C and stirred for 48 h; soln. was concd. in vacuo, pentane added, ppt. was filtered off, washedwith pentane and dried in vacuo; elem. anal.;	80.2%

...Expand

: 590-19-2
2,3-dimethylbutene

: 762-42-5
dimethyl acetylenedicarboxylate

: 1,2,3,4-Tetrakis(carbomethoxy)-5-ethyl-benzol

Conditions

Conditions	Yield
With <2,6-(ipr)2-C6H3-N=CH-CH=N-2,6-(ipr)2C6H3>Pd-(COOMe)4-cyclopentadiene In toluene at 40℃; for 48h;	80%

: 590-19-2
2,3-dimethylbutene

: 323185-93-9
[IrRu(CO)4(bis(diphenylphosphino)methane)2][BF4]

: [IrRu(CO)4(μ-C=C(H)CH2CH3)(μ-Ph2PCH2PPh2)2][BF4]2

Conditions

Conditions	Yield
In dichloromethane (N2); Schlenk technique; stirred soln. of Ir-Ru complex in CH2Cl2 was satd. with methylallene; stirred at ambient temp. for 24 h; pentane added; filtered; rinsed (pentane); dried (vac.);	80%

: 590-19-2
2,3-dimethylbutene

: 123-11-5
4-methoxy-benzaldehyde

: 1-(4-methoxyphenyl)-2-methylbut-3-en-1-ol

Conditions

Conditions	Yield
With isopropyl alcohol; caesium carbonate In ethyl acetate; 1,2-dichloro-ethane at 75℃; for 14h;	79%

: 590-19-2
2,3-dimethylbutene

: 13089-11-7
methyl 3,3,3-trifluoropyruvate

: methyl 2-hydroxy-2-trifluoromethylhex-4-ynoate

Conditions

Conditions	Yield
at 100℃; for 24h;	78%

: 590-19-2
2,3-dimethylbutene

: 107836-65-7
1-phenylethan-1-iminium chloride

: 73183-34-3
bis(pinacol)diborane

: C18H28BNO2

Conditions

Conditions	Yield
With C57H66N2O3S; copper(l) chloride; sodium t-butanolate In tetrahydrofuran at 22℃; for 24h; stereoselective reaction;	78%

...Expand

: 590-19-2
2,3-dimethylbutene

: 100-52-7
benzaldehyde

: 25201-44-9
2-methyl-1-phenyl-3-butene-1-ol

Conditions

Conditions	Yield
With isopropyl alcohol; caesium carbonate In ethyl acetate; 1,2-dichloro-ethane at 75℃; for 14h;	77%

: 590-19-2
2,3-dimethylbutene

: 73183-34-3
bis(pinacol)diborane

: (R)-4,4,5,5-tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl)-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0) In toluene room temp., 14 h; chromy. on silica;	77%
With tris-(dibenzylideneacetone)dipalladium(0) In toluene room temp., 14 h; chromy. on silica;	68%

1,2-Butadiene Specification

1,2-Butadiene is a colourless flammable gas at room temperature and atmospheric pressure with the formula C₄H₆. The IUPAC name of this chemical is buta-1,2-diene. It is soluble in ethanol, ether and benzene, insoluble in water.

Preparation: 1,2-Butadiene can be obtained by many methods. It can be extracted from a mixed butadiene stream using a distillation process. It also can be obtained by 3-methyl-pent-4-yn-2-ol. This reaction reacts at temperature of 66 °C and pressure of 0.001. The yield is 98%.

1,2-Butadiene can be obtained by 3-methyl-pent-4-yn-2-ol

Uses: 1,2-Butadiene is mainly used as feedstock in the manufacturing of synthetic elastomers. It probably has some anesthetic activity and can act as a simple asphyxiant. Moreover, it is also used in organic synthesis. For example: it can react with hexamethyl-disilane to get 2,3-bis-trimethylsilanyl-but-1-ene. This reaction needs reagent but-2-ene and catalytic agent Pd(PPh₃)₄ at temperature of 120 °C. The reaction time is 15 hours. The yield is 73%.

1,2-Butadiene can react with hexamethyl-disilane to get 2,3-bis-trimethylsilanyl-but-1-ene

Safty: 1,2-Butadiene is extremely flammable, so peole should keep it away from sources of ignition. As it is a chemical, people must not breathe vapour and avoid contact with skin and eyes. The product must be stored in air bottle in a cool place.

Other properties: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.6; (6)ACD/BCF (pH 7.4): 18.6; (7)ACD/KOC (pH 5.5): 282.07; (8)ACD/KOC (pH 7.4): 282.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.376; (14)Molar Refractivity: 20.28 cm³; (15)Molar Volume: 88.3 cm³; (16)Polarizability: 8.04×10^-24 cm³; (17)Surface Tension: 6 dyne/cm; (18)Density: 0.612 g/cm³; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 24.02 kJ/mol; (21)Boiling Point: 10.7 °C at 760 mmHg; (22)Vapour Pressure: 1260 mmHg at 25°C.

Structure Descriptors:
1. Smiles:C(=C=C)C
2. InChI:InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H3

Product Name

1,2-Butadiene

Synthetic route

1,2-Butadiene Specification

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