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Merck
CN

268186

cis-1,3-Pentadiene

98%

Synonym(s):

cis-1-Methyl-1,3-butadiene, cis-Piperylene

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About This Item

Linear Formula:
CH3CH=CHCH=CH2
CAS Number:
Molecular Weight:
68.12
EC Number:
216-401-0
UNSPSC Code:
12352103
PubChem Substance ID:
Beilstein/REAXYS Number:
1523658
MDL number:
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InChI key

PMJHHCWVYXUKFD-PLNGDYQASA-N

InChI

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

SMILES string

C\C=C/C=C

vapor pressure

6.58 psi ( 20 °C)

assay

98%

refractive index

n20/D 1.437 (lit.)

bp

44 °C (lit.)

mp

−141 °C (lit.)

density

0.691 g/mL at 25 °C (lit.)

pictograms

FlameHealth hazard

signalword

Danger

hcodes

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

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

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M Kryvohuz et al.
The Journal of chemical physics, 137(13), 134107-134107 (2012-10-09)
The semiclassical instanton approach discussed by Kryvohuz [J. Chem. Phys. 134, 114103 (2011)] is applied to calculate kinetic H/D isotope effect (KIE) of intramolecular hydrogen transfer in cis-1,3-pentadiene. All 33 vibrational degrees of freedom are treated quantum mechanically with semiclassical
Andrew Plumridge et al.
Fungal genetics and biology : FG & B, 47(8), 683-692 (2010-05-11)
The ability to resist anti-microbial compounds is of key evolutionary benefit to microorganisms. Aspergillus niger has previously been shown to require the activity of a phenylacrylic acid decarboxylase (encoded by padA1) for the decarboxylation of the weak-acid preservative sorbic acid
A A Meekel et al.
Bioorganic & medicinal chemistry, 4(7), 1051-1057 (1996-07-01)
The Diels-Alder cycloadditions of trans- and cis-piperylene (1 and 2) to 4-nitroso-N-propylbenzamide (3) were selected as target reactions for the development of catalytic antibodies with regioselective and enantioselective properties (Meekel, A. A. P. Ph.D. Thesis, University of Amsterdam, 1995). The
M B Liewen et al.
Mutation research, 157(1), 49-52 (1985-07-01)
1,3-Pentadiene, a food contaminant produced by some molds when they metabolize sorbic acid, was tested for mutagenicity, using variations of the Salmonella/mammalian microsome assay. The chemical was incorporated into the test system (with and without S9 mix) by 3 methods:
Jirí Vanícek
Chimia, 65(9), 715-719 (2011-10-27)
Nuclear tunneling and other nuclear quantum effects have been shown to play a significant role in molecules as large as enzymes even at physiological temperatures. I discuss how these quantum phenomena can be accounted for rigorously using Feynman path integrals

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