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线性分子式:
CH3(CH2)6COOH
化学文摘社编号:
分子量:
144.21
UNSPSC Code:
12352106
NACRES:
NA.24
PubChem Substance ID:
EC Number:
204-677-5
Beilstein/REAXYS Number:
1747180
MDL number:
产品名称
辛酸, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
SMILES string
CCCCCCCC(O)=O
InChI
1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChI key
WWZKQHOCKIZLMA-UHFFFAOYSA-N
grade
certified reference material
TraceCERT®
vapor density
5 (vs air)
vapor pressure
1 mmHg ( 78 °C)
product line
TraceCERT®
form
liquid
shelf life
limited shelf life, expiry date on the label
manufacturer/tradename
Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
technique(s)
gas chromatography (GC): suitable
refractive index
n20/D 1.428 (lit.)
bp
237 °C (lit.)
mp
15-17 °C (lit.)
density
0.91 g/mL at 25 °C (lit.)
application(s)
food and beverages
format
neat
functional group
carboxylic acid
storage temp.
20-25°C
Quality Level
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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
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
Ion Mobility: TWCCSN2 value of 140.3 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 07754 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.
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 07754 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
signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1C
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 1
flash_point_f
>230.0 °F - closed cup
flash_point_c
> 110 °C - closed cup
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