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| CAS No.: | 2004-70-8 |
|---|---|
| Name: | 1,3-Pentadiene, (3E)- |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8 |
| Molecular Weight: | 68.1185 |
| 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 |
| EINECS: | 217-909-5 |
| Density: | 0.683 g/mL at 25 °C(lit.) |
| Melting Point: | ?87 °C(lit.) |
| Boiling Point: | 42 °C(lit.) |
| Flash Point: | °C |
| Hazard Symbols: |
 F Xn
|
| Risk Codes: | 11-65 |
| 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. |
| Transport Information: | UN 3295 3 |
| PSA: | 0.00000 |
| LogP: | 1.74850 |
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2-iodo-4-pentene
- 2004-70-8
1-methylbuta-1,3-diene
| Conditions | Yield |
|---|---|
| With silver(I) acetate In benzene at 25℃; for 18h; | 89% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Heating; | 54% |
| With triphenylphosphine | 54% |
- 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
| Conditions | Yield |
|---|---|
| With aluminium at 100 - 110℃; for 6h; Product distribution; ultrasonic bath; | A 15% B 50% C 18% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With n-butyllithium In 1,4-dioxane; toluene at 20℃; Inert atmosphere; | 39% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
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Chemistry
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
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 . |
Consensus Reports
Reported in EPA TSCA Inventory.
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): 
F,
Xn
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.
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 .