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:
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.)
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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