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2004-70-8

2004-70-8 Structure

2004-70-8 Structure
IdentificationMore
[Name]

TRANS-1,3-PENTADIENE
[CAS]

2004-70-8
[Synonyms]

1,3-PENTADIENE
PIPERYLENE
TRANS-1,3-PENTADIENE
TRANS-PIPERYLENE
(3E)-1,3-Pentadiene
(E)-1,3-Pentadiene
(e)-3-pentadiene
(E)-CH2=CHCH=CHCH3
1,trans-3-Pentadiene
trans-1-Methylbutadiene
trans-penta-1,3-diene
TRANS-1,3-PENTADIENE, STAB.
trans-1,3-Pentadiene (stabilized with TBC)
[EINECS(EC#)]

217-909-5
[Molecular Formula]

C5H8
[MDL Number]

MFCD00009295
[Molecular Weight]

68.12
[MOL File]

2004-70-8.mol
Chemical PropertiesBack Directory
[Melting point ]

-87 °C (lit.)
[Boiling point ]

42 °C (lit.)
[density ]

0.683 g/mL at 25 °C(lit.)
[vapor density ]

2.4 (vs air)
[vapor pressure ]

6.56 psi ( 20 °C)
[refractive index ]

n20/D 1.433(lit.)
[Fp ]

<−30 °F
[storage temp. ]

Refrigerator
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.6764
[Stability:]

Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents.
[BRN ]

1523659
[Dielectric constant]

2.3199999999999998
[InChI]

1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
[InChIKey]

PMJHHCWVYXUKFD-SNAWJCMRSA-N
[SMILES]

C\C=C\C=C
[CAS DataBase Reference]

2004-70-8(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Pentadiene, (3E)- (2004-70-8)
Questions And AnswerBack Directory
[Uses]

1,3-Pentadiene (PD) is a major component of the C5 fraction, a byproduct of the ethylene industry, and also a key component in the cationic polymerization synthesis of aliphatic hydrocarbon petroleum resins. The application of homopolymers of PD is limited by their performance defects; therefore, copolymerization with other olefins has become a primary method for resin modification. For example, the copolymerization of PD with isobutylene and the copolymerization of PD with styrene (St) in dichloromethane have been studied. Trans-1,3-Pentadiene is the trans isomer of 1,3-Pentadiene.
[Application]

1,3-Pentadiene, including trans-1,3-pentadiene, can be used as a resin raw material for diene polymerization. Its polymers can be used as modifiers for rubber and synthetic resins, improving adhesion. It is also used as a curing agent for epoxy resins. Trans-1,3-pentadiene reacts with maleic anhydride to produce 3-methyltetrahydrophthalic anhydride, an excellent curing agent for resins. This curing agent is inexpensive and can improve the weather resistance and electrical insulation of resins, especially for manufacturing resins with good light transmittance. It is also a raw material for sulfones and a substitute for turpentine.
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R65:Harmful: May cause lung damage if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[RTECS ]

RZ2465000
[TSCA ]

TSCA listed
[HS Code ]

2901.29.5000
[HazardClass ]

3.1
[PackingGroup ]

I
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

2004-70-8(Hazardous Substances Data)
[Toxicity]

LD50 ivn-mus: 18 mg/kg CSLNX* NX#04179
Hazard InformationBack Directory
[Definition]

ChEBI: An alkadiene consisting of pentane with the two double bonds located at positions 1 and 3.
[General Description]

Trans-1,3-Pentadiene spectra is recorded in the 5000-17500 cm(-1) region with conventional and intracavity laser photoacoustic spectroscopy. It can be determined by the spectrophotometric method based on the Diels-Alder reaction. In this reaction, cisoid 1,3-dienes and tetracyanoethylene (TCNE) react with an aromatic-TCNE pi-complex.
[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.
[Purification Methods]

Distil the diene from NaBH4. Purify it also by preparative gas chromatography. [Reimann et al. J Am Chem Soc 108 5527 1986, Beilstein 1 IV 994.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-1,3-PENTADIENE(2004-70-8)MS
TRANS-1,3-PENTADIENE(2004-70-8)1HNMR
TRANS-1,3-PENTADIENE(2004-70-8)13CNMR
TRANS-1,3-PENTADIENE(2004-70-8)IR1
TRANS-1,3-PENTADIENE(2004-70-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2004-70-8(sigmaaldrich)
[TCI AMERICA]

trans-1,3-Pentadiene  (stabilized with TBC),>95.0%(GC)(2004-70-8)
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