TRANS-1,3-PENTADIENE

CAS No.：2004-70-8

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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TRANS-1,3-PENTADIENE Basic information

Product Name:	TRANS-1,3-PENTADIENE
Synonyms:	TRANS-PIPERYLENE;TRANS-1,3-PENTADIENE;1,3-PENTADIENE;trans-1,3-Pentadiene trans-1,3-Pentadiene 90%;trans-1,3-Pentadiene (stabilized with TBC);(3E)-1,3-Pentadiene;(E)-1,3-Pentadiene
CAS:	2004-70-8
MF:	C5H8
MW:	68.12
EINECS:	217-909-5
Product Categories:
Mol File:	2004-70-8.mol

TRANS-1,3-PENTADIENE Chemical Properties

Melting point	-87 °C (lit.)
Boiling point	42 °C (lit.)
density	0.678 g/mL at 20 °C 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.	2-8°C
form	clear liquid
color	Colorless to Almost colorless
Specific Gravity	0.6764
BRN	1523659
Stability:	Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents.
CAS DataBase Reference	2004-70-8(CAS DataBase Reference)
EPA Substance Registry System	1,3-Pentadiene, (3E)- (2004-70-8)

Safety Information

Hazard Codes	F,Xn
Risk Statements	11-65-36/37/38
Safety Statements	16-23-26-36-62
RIDADR	UN 3295 3/PG 2
WGK Germany	3
RTECS	RZ2465000
HazardClass	3.1
PackingGroup	I
Hazardous Substances Data	2004-70-8(Hazardous Substances Data)
Toxicity	LD50 ivn-mus: 18 mg/kg CSLNX* NX#04179

MSDS Information

Provider	Language
SigmaAldrich	English

TRANS-1,3-PENTADIENE Usage And Synthesis

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.]

TRANS-1,3-PENTADIENE Preparation Products And Raw materials

Raw materials	4,5-Dimethyl-2,6-octadiene.-->2-CHLORO-2-BUTENE-->TETRACHLOROHYDROQUINONE-->VINYLCYCLOPROPANE-->Cyclopentene-->1,4-PENTADIENE-->Chloranil-->1,4-Dioxane-->1,3-Cyclopentadiene
Preparation Products	CIS-2-PENTENE-->3-PENTEN-2-OL-->7-METHYL-1-INDANONE-->CIS-1,3-PENTADIENE-->2-Methyl-2-butene

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