CAS No.504-60-9,TRANS-1,3-PENTADIENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	504-60-9
Name:	TRANS-1,3-PENTADIENE
Article Data:	122

Formula:	C₅H₈
Molecular Weight:	68.1185
Synonyms:	1-Methyl-1,3-butadiene;1-Methylbutadiene;Piperylene;
EINECS:	217-909-5
Density:	0.683 g/mL at 25 °C(lit.)
Melting Point:	-87 °C(lit.)
Boiling Point:	44.1 °C at 760 mmHg
Flash Point:	<−30 °F
Appearance:	colourless liquid
Hazard Symbols:	F,Xn
Risk Codes:	11-65
Safety:	16-23-26-36-62-24/25
Transport Information:	UN 3295 3
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

Raw Materials

111-43-3

600-11-3

67-51-6

64-17-5

Downstream Products

64-18-6

71-43-2

109704-11-2

74-98-6

1696-20-4

1608-27-1

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Consensus Reports

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

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.

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