CRM78345

Isophorone

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

• Synonym(s): 3,5,5-Trimethyl-2-cyclohexen-1-one
• Empirical Formula (Hill Notation): C₉H₁₄O
• CAS Number: 78-59-1
• Molecular Weight: 138.21
• Beilstein: 1280721
• MDL number: MFCD00001584
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 300
• 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
• SMILES string: CC1=CC(=O)CC(C)(C)C1
• InChI: 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
• InChI key: HJOVHMDZYOCNQW-UHFFFAOYSA-N

Description

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

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.

Legal Information

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

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312,H319,H335,H351
• Precautionary Statements: P202 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 204.8 °F - closed cup
• Flash Point(C): 96.0 °C - closed cup