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Merck
CN

52930

1-Hexene

analytical standard

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About This Item

Linear Formula:
CH3(CH2)3CH=CH2
CAS Number:
592-41-6
Molecular Weight:
84.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757902
EC Number:
209-753-1
Beilstein/REAXYS Number:
1209240
MDL number:
MFCD00009505

Key Documents

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Product Name

1-Hexene, analytical standard

InChI key

LIKMAJRDDDTEIG-UHFFFAOYSA-N

InChI

1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

SMILES string

CCCCC=C

grade

analytical standard

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 (lit.)
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

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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

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.

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

hcodes

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

supp_hazards

EUH066

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCK4784
BCCF1211
BCBX4244
BCBT0479

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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

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