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Merck
CN

111805

trans-1,3-Pentadiene

90%

Synonym(s):

trans-Piperylene

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About This Item

Linear Formula:
CH3CH=CHCH=CH2
CAS Number:
2004-70-8
Molecular Weight:
68.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847043
EC Number:
217-909-5
Beilstein/REAXYS Number:
1523659
MDL number:
MFCD00009295

Key Documents

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Product Name

trans-1,3-Pentadiene, 90%

InChI key

PMJHHCWVYXUKFD-SNAWJCMRSA-N

InChI

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

SMILES string

C\C=C\C=C

vapor pressure

6.56 psi ( 20 °C)

assay

90%

refractive index

n20/D 1.430 (lit.)

bp

42 °C (lit.)

mp

−87 °C (lit.)

density

0.678 g/mL at 20 °C
0.683 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Quality Level

100

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Application


  • Hydroxyl radical reactions with diolefins in atmospheric and combustion environments: This study provides insights into the reactions of hydroxyl radicals with diolefins such as trans-1,3-Pentadiene, highlighting their significance in both atmospheric chemistry and combustion processes. This research helps in understanding the reactive pathways and kinetics that could inform both environmental and industrial applications of trans-1,3-Pentadiene (Khaled et al., 2019).

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.

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

5.0 °F - closed cup

flash_point_c

-15 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

监管及禁止进口产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCX7673
MKCW3640
MKCV6508
MKCW6602
MKCT2932

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Ruth J Waldrom et al.
The journal of physical chemistry. A, 110(3), 913-920 (2006-01-20)
The room-temperature vapor-phase overtone spectra of cis- and trans-1,3-pentadiene (piperylene) have been recorded in the 5000-17500 cm(-1) region with the use of conventional and intracavity laser photoacoustic spectroscopy. The presence of five nonequivalent olefinic CH bonds and one methyl group
D A Williams et al.
Talanta, 20(11), 1085-1096 (1973-11-01)
An indirect spectrophotometric method, based on the rapid Diels-Alder reaction between cisoid 1,3-dienes and tetracyanoethylene (TCNE) and the destruction of an aromatic-TCNE pi-complex, was developed to determine eleven 1,3-dienes in the 0.05-1.00 x 10(-3)M range. These dienes were: cyclopentadiene; 1,3-cyclohexadiene;

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