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Merck
CN

268186

Sigma-Aldrich

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:
1574-41-0
Molecular Weight:
68.12
Beilstein:
1523658
EC Number:
216-401-0
MDL number:
MFCD00063977
UNSPSC Code:
12352103
PubChem Substance ID:
329752886

Key Documents

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vapor pressure

6.58 psi ( 20 °C)

Assay

98%

refractive index

n20/D 1.436 (lit.)
n20/D 1.437 (lit.)

bp

44 °C (lit.)

mp

−141 °C (lit.)

density

0.694 g/mL at 20 °C
0.691 g/mL at 25 °C (lit.)

SMILES string

C\C=C/C=C

InChI

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

InChI key

PMJHHCWVYXUKFD-PLNGDYQASA-N

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Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Statements

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

5.0 °F - closed cup

Flash Point(C)

-15 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
05327TW
08124AX

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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
J L Kinderlerer et al.
Food additives and contaminants, 7(5), 657-669 (1990-09-01)
A number of fungal detoxification reactions of sorbic acid have been reviewed. These include decarboxylation to give trans-1,3-pentadiene, esterification to give ethyl sorbate, reduction to give 4-hexenol and 4-hexenoic acid. It was shown that seven Penicillium species could convert sorbic
Mechanistic insights into the role of chiral ligands in asymmetric diamination reactions.
Garima Jindal et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(23), 7045-7049 (2012-05-11)
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
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
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