CAS No.2004-70-8,1,3-Pentadiene, (3E)- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2004-70-8
Name:	1,3-Pentadiene, (3E)-
Article Data:	118

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:	FXn
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

Synthetic route

: 59967-14-5
2-iodo-4-pentene

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
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

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

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

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

C: 1-methyl-2-butenylaluminum sesquichloride

Conditions

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

...Expand

: 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

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%

...Expand

: 123-73-9
trans-Crotonaldehyde

: 1779-49-3
Methyltriphenylphosphonium bromide

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
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

Conditions	Yield
In toluene 140°C;	A 10% B 20% C 30%

...Expand

: 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

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%

...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

Conditions	Yield
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

Downstream Products

88-72-2

109-66-0

33755-64-5

39627-61-7

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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

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, Harmful 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 .