111805

trans-1,3-Pentadiene

90%

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

Properties

• 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
• SMILES string: C\C=C\C=C
• InChI: 1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
• InChI key: PMJHHCWVYXUKFD-SNAWJCMRSA-N

Description

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.

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).

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H335
• pcodes: P210 - P233 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• 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_germany: WGK 3
• flash_point_f: 5.0 °F - closed cup
• flash_point_c: -15 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves