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Merck
CN

CRM78345

Isophorone

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

3,5,5-Trimethyl-2-cyclohexen-1-one

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About This Item

Empirical Formula (Hill Notation):
C9H14O
CAS Number:
Molecular Weight:
138.21
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
1280721
MDL number:
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Product Name

Isophorone, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

SMILES string

CC1=CC(=O)CC(C)(C)C1

InChI key

HJOVHMDZYOCNQW-UHFFFAOYSA-N

InChI

1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

grade

certified reference material
TraceCERT®

vapor density

4.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

product line

TraceCERT®

autoignition temp.

864 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

3.8 %

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

refractive index

n20/D 1.476 (lit.)

bp

213-214 °C (lit.)

mp

−8 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

storage temp.

−20°C

Quality Level

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com

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.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazardExclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

204.8 °F - closed cup

flash_point_c

96.0 °C - closed cup


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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