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Merck
CN

CRM01483

ε-Caprolactam

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

Synonym(s):

CAP, 2-Oxohexamethyleneimine, Aza-2-cycloheptanone

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About This Item

Empirical Formula (Hill Notation):
C6H11NO
CAS Number:
105-60-2
Molecular Weight:
113.16
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
106934
MDL number:
MFCD00006936

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Product Name

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

SMILES string

O=C1CCCCCN1

InChI key

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

InChI

1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

grade

certified reference material
TraceCERT®

vapor pressure

<0.01 mmHg ( 20 °C)

product line

TraceCERT®

form

crystals

autoignition temp.

707 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

8 %

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

bp

136-138 °C/10 mmHg (lit.)

mp

68-71 °C (lit.)

storage temp.

2-8°C

Quality Level

300

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and 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
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.
Ion Mobility: TWCCSN2 value of 121.9 Å2 [M+H]+

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N CRM01483 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Legal Information

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

305.6 °F - closed cup

flash_point_c

152 °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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