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Merck
CN

59240

Isoprene

analytical standard

Synonym(s):

2-Methyl-1,3-butadiene

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About This Item

Linear Formula:
CH2=CHC(CH3)=CH2
CAS Number:
78-79-5
Molecular Weight:
68.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329758612
EC Number:
201-143-3
Beilstein/REAXYS Number:
969158
MDL number:
MFCD00008600

Key Documents

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Product Name

Isoprene, analytical standard

InChI key

RRHGJUQNOFWUDK-UHFFFAOYSA-N

InChI

1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

SMILES string

CC(=C)C=C

grade

analytical standard

vapor density

2.35 (vs air)

vapor pressure

8.82 psi ( 20 °C)

assay

≥99.5% (GC)

autoignition temp.

428 °F

shelf life

limited shelf life, expiry date on the label

contains

~0.02% 4-tert-butylcatechol as stabilizer

expl. lim.

10 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.422 (lit.)
n20/D 1.422

bp

34 °C (lit.)

mp

−146 °C (lit.)

density

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

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care
petroleum

format

neat

storage temp.

2-8°C

Quality Level

100

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Application

Isoprene may be used as an analytical reference standard for the quantification of the analyte in human breath samples using substrate-integrated hollow waveguide mid-infrared sensors and thermal desorption gas chromatography with ultraviolet detection.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Isoprene is a reactive aliphatic hydrocarbon that originates as a byproduct of cholesterol synthesis.
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

Hazard Classifications

Aquatic Chronic 3 - Carc. 1B - Flam. Liq. 1 - Muta. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-65.2 °F - closed cup

flash_point_c

-54 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCK1674
BCCD9997
BCBV5403
BCBX0213

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Determination of isoprene in human breath by thermal desorption gas chromatography with ultraviolet detection
Jones W.A, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 672(1), 1-6 (1995)
Determination of isoprene in human expired breath using solid-phase microextraction and gas chromatography?mass spectrometry
Hyspler R, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 739(1), 183-190 (2000)
Blackley.C.D
Polymer Latices: Science and technology Volume 2: Types of lattices, (2) (1997)
Kinetics of Isopentane Dehydrogenation on Chromia-Alumina Catalyst with Catalyst Fouling
Noda H, et al.
J. Chem. Eng. Jpn., 7(2), 110-116 (1974)
Towards the determination of isoprene in human breath using substrate-integrated hollow waveguide mid-infrared sensors
Perez-Guaita D, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 8(2), 183-190 (2014)
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