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59240

Supelco

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:
Molecular Weight:
68.12
Beilstein:
969158
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

SMILES string

CC(=C)C=C

InChI

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

InChI key

RRHGJUQNOFWUDK-UHFFFAOYSA-N

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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

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.

Recommended products

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-65.2 °F - closed cup

Flash Point(C)

-54 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Special flammables
Hazardous rank I

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

59240-10ML-F:4548173952406
59240-BULK-F:
59240-VAR-F:
59240-50ML-F:
59240-1ML-F:4548173952413
59240-5ML-F:


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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)
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)
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)
Szmant.HH
Organic Building Blocks of the Chemical Industry (1989)

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