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(E)-1,3-Pentadiene
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Name

(E)-1,3-Pentadiene

 EINECS 217-909-5
CAS No. 2004-70-8 Density 0.683 g/mL at 25 °C(lit.)
PSA 0.00000 LogP 1.74850
Solubility N/A Melting Point ?87 °C(lit.)
Formula C5H8 Boiling Point 42 °C(lit.)
Molecular Weight 68.1185 Flash Point °C
Transport Information UN 3295 3 Appearance N/A
Safety Poison by intravenous route. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes 11-65
Molecular Structure Molecular Structure of 2004-70-8 (1,3-Pentadiene, (3E)-) Hazard Symbols FlammableFHarmfulXn
Synonyms

1,3-Pentadiene,(E)- (8CI); Piperylene, trans- (6CI); (3E)-1,3-Pentadiene; (E)-1,3-Pentadiene;(E)-Piperylene; 1,3-trans-Pentadiene; NSC 73901; trans-1,3-Pentadiene;trans-1-Methyl-1,3-butadiene; trans-1-Methylbutadiene; trans-Piperylene

Article Data 118

(E)-1,3-Pentadiene Synthetic route

59967-14-5

2-iodo-4-pentene

2004-70-8

1-methylbuta-1,3-diene

Conditions
ConditionsYield
With silver(I) acetate In benzene at 25℃; for 18h;89%
202803-83-6

4,5-epithia-2-pentene

A

2004-70-8

1-methylbuta-1,3-diene

B

3,6-dihydro-3-methyl-1,2-dithiin

Conditions
ConditionsYield
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 at 25℃; for 24h;A n/a
B 86%
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 for 24h; Ambient temperature;A n/a
B 86 % Spectr.
83927-50-8, 88979-80-0

(1S,3S,7R)-3-Methyl-4-thia-tricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide

A

2004-70-8

1-methylbuta-1,3-diene

B

542-92-7

cyclopenta-1,3-diene

Conditions
ConditionsYield
at 650℃; under 0.01 Torr; Title compound not separated from byproducts;A 85%
B n/a
at 650℃; Yields of byproduct given;
202803-83-6

4,5-epithia-2-pentene

2004-70-8

1-methylbuta-1,3-diene

Conditions
ConditionsYield
Heating;54%
With triphenylphosphine54%
123-91-1

1,4-dioxane

4461-41-0

2-chloro-but-2-ene

A

2004-70-8

1-methylbuta-1,3-diene

B

18476-57-8

4,5-dimethyl-2,6-octadiene

C

1-methyl-2-butenylaluminum sesquichloride

Conditions
ConditionsYield
With aluminium at 100 - 110℃; for 6h; Product distribution; ultrasonic bath;A 15%
B 50%
C 18%

bis(2,4-pentadienyl)magnesium THF complex

A

1574-41-0

Z-piperylene

B

2004-70-8

1-methylbuta-1,3-diene

C

591-93-5

1,4-Pentadiene

Conditions
ConditionsYield
With acetic acid In benzene at 10℃; Product distribution; other protonolysis agents, other bis(dienyl)magnesium complex;A 8%
B 48%
C 44%
123-73-9

trans-Crotonaldehyde

1779-49-3

Methyltriphenylphosphonium bromide

2004-70-8

1-methylbuta-1,3-diene

Conditions
ConditionsYield
With n-butyllithium In 1,4-dioxane; toluene at 20℃; Inert atmosphere;39%

(π-CH3CHCHCHCH3NiCl)2

A

2004-70-8

1-methylbuta-1,3-diene

B

124-18-5

decane

C

109-68-2

2-pentene

Conditions
ConditionsYield
In toluene 140°C;A 10%
B 20%
C 30%
115-11-7

isobutene

A

106-98-9

1-butylene

B

590-18-1

(Z)-2-Butene

C

513-35-9

2-methyl-but-2-ene

D

1574-41-0

Z-piperylene

E

2004-70-8

1-methylbuta-1,3-diene

F

187737-37-7

propene

G

34557-54-5

methane

H

624-64-6

trans-2-Butene

I

627-20-3

(Z)-pent-2-ene

J

646-04-8

(E)-pent-2-ene

K

74-84-0

ethane

L

74-98-6

propane

M

75-28-5

Isobutane

N

78-78-4

methylbutane

O

74-85-1

ethene

P

109-67-1

1-penten

Q

287-92-3

Cyclopentane

R

563-46-2

2-Methyl-1-butene

S

563-45-1

3-Methyl-1-butene

T

142-29-0

cyclopentene

U

106-97-8

n-butane

V

109-66-0

pentane

Conditions
ConditionsYield
CBV1502 at 579.84℃; under 900.09 Torr; Product distribution / selectivity;A 2.6%
B 2.4%
C 1.29%
D 0.05%
E 0.03%
F 24.95%
G 0.73%
H 3.19%
I 0.32%
J 0.58%
K 0.36%
L 2.08%
M 2.15%
N 0.34%
O 9.61%
P 0.23%
Q 0.4%
R 0.71%
S 0.14%
T 0.14%
U 1.8%
V 0.16%
CBV28014 at 509.84℃; under 900.09 Torr; Product distribution / selectivity;A 6.71%
B 7.3%
C 5.62%
D 0.02%
E 0.03%
F 23.29%
G 0.09%
H 9.97%
I 1.1%
J 2.06%
K 0.07%
L 1.24%
M 1.95%
N 0.59%
O 3.25%
P 0.7%
Q 0.31%
R 2.72%
S 0.47%
T 0.21%
U 1.37%
V 0.26%
...Expand
591-93-5

1,4-Pentadiene

A

2004-70-8

1-methylbuta-1,3-diene

B

693-86-7

ethenylcyclopropane

C

542-92-7

cyclopenta-1,3-diene

D

106-99-0

buta-1,3-diene

E

142-29-0

cyclopentene

Conditions
ConditionsYield
Product distribution; Mechanism; Plasmolysis (40 W, 3.48mmol/min, 13.56 MHz);A n/a
B 5%
C 21%
D n/a
E 18%
...Expand

(E)-1,3-Pentadiene Chemical Properties

Molecular Formula: C5H8
Molar mass: 68.117 g/mol
EINECS: 217-909-5
Density: 0.682 g/cm3
Index of Refraction: 1.415
Boiling Point: 44.1 °C at 760 mmHg
Vapour Pressure: 380 mmHg at 25 °C
Melting point: -87 °C(lit.)
Storage temp: Refrigerator
Stable: Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents.
Structure of (E)-1,3-Pentadiene (CAS NO.2004-70-8):
                               
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name of (E)-1,3-Pentadiene (CAS NO.2004-70-8): (3E)-Penta-1,3-diene
Canonical SMILES: CC=CC=C
Isomeric SMILES: C/C=C/C=C
InChI: InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+ 
InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N

(E)-1,3-Pentadiene Toxicity Data With Reference

1.    

ivn-mus LD50:18 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04179 .

(E)-1,3-Pentadiene Consensus Reports

Reported in EPA TSCA Inventory.

(E)-1,3-Pentadiene Safety Profile

Poison by intravenous route. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.
 

Hazard Codes of (E)-1,3-Pentadiene (CAS NO.2004-70-8): FlammableF,HarmfulXn
Risk Statements: 11-65-36/37/38
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R65:Harmful: may cause lung damage if swallowed.
Safety Statements: 16-23-26-36-62
S16:Keep away from sources of ignition. 
S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
 

(E)-1,3-Pentadiene Specification

 (E)-1,3-Pentadiene ,its cas register number is 2004-70-8. It also can be called Piperylene ; .beta.-Methylbivinyl ; 1,3-pentadiene, (3E)- ; (3E)-Penta-1,3-diene ; (3E)-1,3-Pentadiene and (3E)-1,3-Pentadien .

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