trans-1,3-Pentadiene supplier

Name
TRANS-1,3-PENTADIENE
EINECS 217-909-5
CAS No. 504-60-9
Article Data122
CAS DataBase
Density 0.683 g/mL at 25 °C(lit.)
Solubility
Melting Point -87 °C(lit.)
Formula C₅H₈
Boiling Point 44.1 °C at 760 mmHg
Molecular Weight 68.1185
Flash Point <−30 °F
Transport Information UN 3295 3
Appearance colourless liquid
Safety 16-23-26-36-62-24/25
Risk Codes 11-65
Molecular Structure
Hazard Symbols F,Xn
Synonyms 1-Methyl-1,3-butadiene;1-Methylbutadiene;Piperylene;
PSA 0.00000
LogP 1.74850

Synthetic route

: 67-51-6
3,5-dimethyl-1H-pyrazole

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

Conditions

Conditions	Yield
at 800℃; under 0.1 Torr; for 2.77778E-06h; Product distribution; Mechanism; var. temp., deuterium substituted 3,5-dimethylpyrazole;	100%
at 456.9℃; under 0.2 - 0.5 Torr; for 2.77778E-05h; Kinetics; Mechanism; Thermodynamic data; Irradiation; various temp., ΔH(excit.);

: 1825-14-5, 3950-21-8, 36402-52-5, 42075-32-1, 72345-23-4, 625-69-4
pentane-1,3-diol

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

Conditions

Conditions	Yield
With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere;	99%
With monoaluminum phosphate at 450℃; under 35 Torr;
With hydrogen bromide

: 109-67-1
1-penten

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

Conditions

Conditions	Yield
With oxygen; Bi-Mo oxide (1/1) at 400℃; Rate constant; Kinetics; also without O2; other temperature;	99%
With multi-component bismuth molybdate at 320℃;

: 96-47-9
2-methyltetrahydrofuran

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

Conditions

Conditions	Yield
With borosilicate zeolite B-MWW at 384.84℃; for 48h; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Green chemistry;	86%
With monoaluminum phosphate at 350℃;
With aluminium oxide#titanium oxide at 600℃; under 25 - 40 Torr;
With sodium phosphate at 280℃;
With kaolin at 400℃; under 70 Torr;

: 626-95-9
1,4-Pentanediol

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

Conditions

Conditions	Yield
With Ag/Pr/Zr-Si at 460 - 600℃; Reagent/catalyst; Temperature; Inert atmosphere;	76%
With phosphorus at 400℃; Dehydratisierung.;
Multi-step reaction with 2 steps 1: HBr 2: sodium; xylene View Scheme
With VTi2P5.1O(x) at 350℃; for 3h; Catalytic behavior;

: 3174-67-2
1,3-pentanediol

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

Conditions

Conditions	Yield
With H3SiW12O40/SBA In dichloromethane at 300℃; Temperature; Reagent/catalyst;	76%

: 96-47-9
2-methyltetrahydrofuran

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

B: 591-93-5
1,4-Pentadiene

Conditions

Conditions	Yield
With borosilicate zeolite B-MFI at 384.84℃; for 10h; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Green chemistry;	A 76% B n/a
With 2-(diisopropylphosphonic acid)terephthalate exchanged zirconium terephthalate based metal-organic framework UiO66 at 280℃; under 4.9 Torr; Reagent/catalyst; Temperature;

: 5343-92-0
1,2-pentanediol

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

B: 110-62-3
pentanal

C: 2-butyl-4-propyl-1,3-dioxolane

Conditions

Conditions	Yield
With tungsten trioxide on silica; hydrogen In water at 250℃; for 5h; Concentration; Temperature; Inert atmosphere;	A 19.9% B 72% C 8.6%

...Expand

: 40749-83-5
4-propenyl-1,3-dioxane

: 141-78-6
ethyl acetate

A: 55230-25-6
6-methyl-3,6-dihydro-2H-pyran

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

C: 2235-12-3
1,3,5-hexatriene

D: 1516-17-2
2,4-hexadien-1-ol acetate

E: 75338-23-7
3,5-hexadien-1-ol acetate

Conditions

Conditions	Yield
With sulfuric acid at 90℃; for 9h; metal ampul;	A 17% B 3% C 5% D 20% E 50%

...Expand

: 78-78-4
methylbutane

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

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

C: 542-92-7
cyclopenta-1,3-diene

D: 563-46-2
2-Methyl-1-butene

E: 563-45-1
3-Methyl-1-butene

F: 109-66-0
pentane

G: 78-79-5
isoprene

Conditions

Conditions	Yield
With platinum-aluminum catalyst at 600℃; Gas phase;	A n/a B n/a C n/a D n/a E n/a F n/a G 28.72%

...Expand

: 110-44-1
hexa-2,4-dienoic acid

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

Conditions

Conditions	Yield
With 1,10-Phenanthroline; copper hydroxide In 1-methyl-pyrrolidin-2-one at 180℃; for 5h; Inert atmosphere; Green chemistry;	14%

: 110-89-4
piperidine

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

Conditions

Conditions	Yield
With phosphoric acid at 380 - 400℃;
Abbau durch erschoepfende Methylierung;
Abbau durch erschoepfende Methylierung; dabei findet Verschiebung einer Doppelbildung statt;

: 71-23-8
propan-1-ol

: 64-17-5
ethanol

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

Conditions

Conditions	Yield
With Lebedew-catalyst

: 71-23-8
propan-1-ol

: 64-17-5
ethanol

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

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

C: 592-46-1
hexa-2,4-diene

Conditions

Conditions	Yield
ueber Lebedew-Katalysatoren;

...Expand

: 85-44-9
phthalic anhydride

: 616-25-1
1-Penten-3-ol

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

: 1120-62-3
3-methyl-1-cyclopentene

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

: 821-09-0
n-Pent-4-enyl alcohol

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

Conditions

Conditions	Yield
With aluminum oxide at 390℃;

: 926-66-9
2-ethoxyprop-1-ene

: 74-85-1
ethene

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

B: 78-79-5
isoprene

Conditions

Conditions	Yield
at 150 - 160℃; beim Leiten ueber einen Mischkatalysator aus Aluminium und Oxiden des Bors, Wolframs, Urans und Silbers;
at 150 - 160℃; beim Leiten ueber einen Mischkatalysator aus Aluminium und Oxiden des Bors, Wolframs, Urans und Silbers;

...Expand

: 591-93-5
1,4-Pentadiene

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

Conditions

Conditions	Yield
With acetic acid 1-methylbut-3-enyl ester at 550 - 570℃; under 70 - 80 Torr; ueber Glaswolle.;
With borosilicate zeolite B-MWW at 334.84℃; Reagent/catalyst; Flow reactor; Green chemistry;

: 627-21-4
2-Pentyne

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

Conditions

Conditions	Yield
With aluminium oxide-chromium oxide at 250℃;

: 627-19-0
1-Pentyne

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

Conditions

Conditions	Yield
With aluminium oxide-chromium oxide at 250℃;

: 627-19-0
1-Pentyne

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

B: 627-21-4
2-Pentyne

Conditions

Conditions	Yield
With chromium corundum at 250℃;

: 626-92-6
1,4-dichloropentane

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

Conditions

Conditions	Yield
With water; magnesium chloride at 300℃; Kupfer aktivierte Katalysatore;

: 64-17-5
ethanol

: 590-19-2
2,3-dimethylbutene

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

Conditions

Conditions	Yield
With Lebedew-catalyst; acetone
With trans-Crotonaldehyde; Lebedew-catalyst

: 1569-50-2
3-penten-2-ol

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

: 584-02-1
2-pentanol

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

Conditions

Conditions	Yield
With sulfuric acid at 100℃; Behandeln des entstandenen Pentens mit Brom in Hexan bei -20grad und Leiten des erhaltenen Dibromids ueber Natronalk bei 500grad.;

: 71-41-0
pentan-1-ol

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

Conditions

Conditions	Yield
With aluminum oxide; chromium(III) oxide at 600℃; under 130 Torr;

: 600-11-3
2,3-dichloropentane

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

Conditions

Conditions	Yield
With water; magnesium chloride at 300℃; Kupfer aktivierte Katalisator.;

: 5398-25-4
2,3-dibromo-pentane

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

Conditions

Conditions	Yield
With soda lime; carbonic-acid at 600℃;

: 107-89-1
acetaldol

: 75-16-1
methylmagnesium bromide

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

Conditions

Conditions	Yield
man dampft das Reaktionsprodukt mit verd. Schwefelsaeure auf dem Wasserbad ein;

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

: 870-50-8
di-tert-butyl-diazodicarboxylate

: 1072150-92-5
di-tert-butyl 3-methyl-1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; Diels-Alder reaction;	100%

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

: 1425040-20-5
tert-butyl 2-(4-chlorophenylcarbamoyl)diazenecarboxylate

: (S)-tert-butyl 2-((4-chlorophenyl)carbamoyl)-6-methyl-2,3-dihydropyridazine-1-(6H)-carboxylate

Conditions

Conditions	Yield
With C50H56O4P(1-)Ag(1+)H2O In dichloromethane at -40℃; for 4h; Diels-Alder Cycloaddition; Darkness;	99%

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

: 1458-99-7
4-chloropent-2-ene

Conditions

Conditions	Yield
With hydrogenchloride at -10 - -5℃;	98%
With hydrogenchloride at -5 - 0℃;	98%
With hydrogenchloride; N,N-dimethyl-formamide at -10 - -5℃;	98%

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

: 54730-18-6
bromomethanesulfonyl bromide

: 102683-77-2
4-bromo-2-pentenyl bromomethyl sulfone

Conditions

Conditions	Yield
In dichloromethane at 0℃;	98%

: 10257-28-0
D-Galactose

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

: 81148-33-6, 112677-77-7, 125589-85-7, 125589-86-8
3-acetyl-2-methyl-5-(α,β-D-threofuranosyl)furan

Conditions

Conditions	Yield
With zinc(II) chloride In ethanol; water for 48h; Heating;	95%

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

: 79060-54-1
2-phenyl-2,3-((4-methoxyphenyl)imino)-2,3-dihydro-1,4-naphthoquinone

: 87373-43-1
3,4-benzo-9-(4-methoxyphenyl)-1-phenyl-8-(1-propenyl)-9-azabicyclo<4.2.1>nonene-2,5-dione

Conditions

Conditions	Yield
In benzene for 80h; Irradiation;	95%

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

: 1130728-52-7
(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)boronic acid

: (1RS,4aSR,9aRS)-1,4,4a,9a-tetrahydro-1,4a-dimethylanthracene-9,10-dione

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 2h; Diels-Alder reaction;	95%

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

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

: 4141-59-7
1,2-bis(di-tert-butyl)phosphinoethane

: [(dtbpe)Ni( piperylene)]

Conditions

Conditions	Yield
In tetrahydrofuran-d8 at 100℃; for 24h; Inert atmosphere;	95%

...Expand

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

: 694-53-1
phenylsilane

: C11H16Si

Conditions

Conditions	Yield
With C16H18Cl2CoN2O; sodium triethylborohydride In tetrahydrofuran at -30 - 25℃; for 12h; Inert atmosphere; enantioselective reaction;	95%

: 497-25-6
dimethylenecyclourethane

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

: (E)-3-(pent-3-en-2-yl)oxazolidin-2-one

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate; tetrakis(actonitrile)copper(I) hexafluorophosphate; 1,2-bis-(diphenylphosphino)ethane In 1,4-dioxane at 50℃; for 18h;	94%

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

: 19656-74-7
N,N'-di-tert-butyldiaziridinone

: 1,3-di-tert-butyl-4-methyl-5-vinyl-imidazolidin-2-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In benzene-d6 at 65℃; Inert atmosphere;	94%

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

: 1130728-55-0
2,4-dimethyl-3,6-dioxocyclohexa-1,4-dienylboronic acid

: 55756-89-3, 97521-93-2, 117661-49-1, 117661-66-2
(4aSR,5RS,8aSR)-2,5,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 1h; Diels-Alder reaction;	93%

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

: 75927-49-0
pinacol vinylboronate

: (1E,4Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-methylhexa-1,4-diene

Conditions

Conditions	Yield
With (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) In benzene at 30℃; for 1h; Inert atmosphere; Schlenk technique;	93%

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

: 1460-57-7
trans-1,2-cyclohexandiol

: (4aRS,5RS,8aSR)-5-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-4a,8a-diol

Conditions

Conditions	Yield
With dodecacarbonyl-triangulo-triruthenium; 2,2'-bis(diphenylphosphino)biphenyl In toluene at 130℃; for 48h; Inert atmosphere; diastereoselective reaction;	91%

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

: C31H54O

: C36H62O

Conditions

Conditions	Yield
With bis(trifluoromethane)sulfonimide lithium In methyl cyclohexane at 20℃; Diels-Alder Cycloaddition; Electrochemical reaction;	91%

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

: 107-13-1
acrylonitrile

: 4736-16-7
2-methyl-1,2,5,6-tetrahydrobenzonitrile

Conditions

Conditions	Yield
With hydroquinone at 140℃; for 12h;	90%

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

: 461677-71-4
1-benzyl-3-diazo-1,3-dihydro-2H-indol-2-one

: 864949-91-7
1'-(phenylmethyl)-2-[1-prop-1-en-1-yl]spiro[cyclopropane-1,3'-indol]-2'(1'H)-one

Conditions

Conditions	Yield
With dirhodium tetraacetate In benzene for 4h; Heating;	90%

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

: 35024-12-5
(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine

: 92898-20-9
2-(1-propenyl)-4-oxo-6,6-dimethyl-2,3,4,5,6,7-hexahydrobenzofuran

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1h; Cycloaddition; Irradiation;	89%

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

: 503312-47-8
methyl 2-(diethoxyphosphoryl)imino-3,3,3-trifluoropropionate

: methyl 1-diethoxyphosphoryl-6-methyl-2-trifluoromethyl-1,2,3,6-tetrahydropyridine-2-carboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 150h; aza Diels-Alder reaction;	89%

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

: 766-77-8
Dimethylphenylsilane

: Dimethyl-((Z)-pent-2-enyl)-phenyl-silane

Conditions

Conditions	Yield
With diisobutylaluminium hydride; triethylphosphine; bis(acetylacetonate)nickel(II) In toluene at 80℃; for 24h;	89%

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

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

: 134224-64-9
6-trifluoromethyl-6-methoxycarbonyl-2-methyl-5,6-dihydro-2H-pyran

Conditions

Conditions	Yield
In hexane at 20℃; for 24h;	88%

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

: 139118-84-6
-1-(2-phenylpropylsulfinyl)-2-nitrocyclopentene

: (3aS,4S,7aR)-4-Methyl-3a-nitro-7a-((R)-(S)-2-phenyl-propane-1-sulfinyl)-2,3,3a,4,7,7a-hexahydro-1H-indene

Conditions

Conditions	Yield
With hydroquinone In dichloromethane under 6000480 Torr; for 120h; Ambient temperature;	88%

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

: 64-19-7
acetic acid

: Acetic acid (E)-4-bromo-1-methyl-but-2-enyl ester

Conditions

Conditions	Yield
With N-Bromosuccinimide Ambient temperature;	88%

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

: 84487-52-5
2-(cyclohex-2-en-1-yl)-6-methylaniline

: 6-methyl-4-(1-methyl-2-buten-1-yl)-2-(2-cyclohexen-1-yl)aniline

Conditions

Conditions	Yield
With aluminium trichloride In benzene at 135℃; for 3h;	88%

: 563-79-1
2,3-Dimethyl-2-butene

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

polymer; monomer(s): 1,3-pentadiene; 2,3-dimethyl-2-butene: polymer; monomer(s): 1,3-pentadiene; 2,3-dimethyl-2-butene

Conditions

Conditions	Yield
With aluminium trichloride In pentane at 20℃; for 2h;	87%

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

: 418760-99-3
6-methyl-2-(1-cyclohexen-1-yl)aniline

: 6-methyl-4-(1-methyl-2-buten-1-yl)-2-(1-cyclohexen-1-yl)aniline

Conditions

Conditions	Yield
With aluminium trichloride In benzene at 135℃; for 3h;	87%

trans-1,3-Pentadiene Consensus Reports

1,3-PENTADIENE is reported in EPA TSCA Inventory.

trans-1,3-Pentadiene Specification

The 1,3-Pentadiene, with the CAS registry number 504-60-9, is also known as 1-Methylbutadiene. Its EINECS registry number is 207-995-2. This chemical's molecular formula is C₅H₈ and molecular weight is 68.117. Its systematic name is called penta-1,3-diene. What's more, this chemical is a clear colorless liquid with an acrid odor. It is mainly used in the manufacture of polyisoprene resin and also can be used in organic synthesis.

Physical properties of 1,3-Pentadiene: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 38.18; (5)ACD/BCF (pH 7.4): 38.18; (6)ACD/KOC (pH 5.5): 471.91; (7)ACD/KOC (pH 7.4): 471.91; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.415; (10)Molar Refractivity: 24.99 cm³; (11)Molar Volume: 99.7 cm³; (12)Surface Tension: 18.6 dyne/cm; (13)Density: 0.682 g/cm³; (14)Enthalpy of Vaporization: 27.62 kJ/mol; (15)Boiling Point: 44.1 °C at 760 mmHg; (16)Vapour Pressure: 380 mmHg at 25°C.

Preparation of 1,3-Pentadiene: this chemical can be prepared by 3,5-dimethyl-1H-pyrazole. The reaction time is 0.01 s with reaction temperature of 800 °C. The yield is about 100%. This reaction can be used in product distribution//mechanism.

1,3-Pentadiene can be prepared by 3,5-dimethyl-1H-pyrazole

Uses of 1,3-Pentadiene: it can be used to produce pentane at temperature of 29 - 35 °C. This reaction is a kind of hydrogenation. It will need reagents raney nickel and ethanol.

1,3-Pentadiene can be used to produce pentane at temperature of 29 - 35 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and harmful. It may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. 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\C=CC
(2)InChI: InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3
(3)InChIKey: PMJHHCWVYXUKFD-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	1100mg/m³/2H (1100mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 101, 1982.
rat	LC50	inhalation	140gm/m³/2H (140000mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 101, 1982.

Product Name

TRANS-1,3-PENTADIENE

Synthetic route

trans-1,3-Pentadiene Consensus Reports

trans-1,3-Pentadiene Specification

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