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About This Item
Linear Formula:
CH3(CH2)3CH=CH2
CAS Number:
Molecular Weight:
84.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
209-753-1
Beilstein/REAXYS Number:
1209240
MDL number:
grade
analytical standard
Quality Level
vapor density
3 (vs air)
vapor pressure
155 mmHg ( 21.1 °C)
assay
≥99.8% (GC)
autoignition temp.
487 °F
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
refractive index
n20/D 1.388
bp
60-66 °C (lit.)
density
0.678 g/mL at 25 °C (lit.)
application(s)
cleaning products
cosmetics
environmental
food and beverages
personal care
petroleum
format
neat
SMILES string
CCCCC=C
InChI
1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
InChI key
LIKMAJRDDDTEIG-UHFFFAOYSA-N
General description
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
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signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-13.0 °F - closed cup
flash_point_c
-25.0 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Astrid-Caroline Knall et al.
Tetrahedron letters, 55(34), 4763-4766 (2014-08-26)
Inverse electron demand Diels-Alder additions (iEDDA) between 1,2,4,5-tetrazines and olefins have recently found widespread application as a novel 'click chemistry' scheme and as a mild technique for the modification of materials. Norbornenes are, due to their straightforward synthetic availability, especially
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 52930-5ML | 04061832558257 |
| 52930-50ML | 04061837612619 |
| 52930-10ML | 04061832558127 |

