42697

Diethyl adipate

analytical standard

• Synonym(s): Hexanedioic acid 1,6-diethyl ester, NSC 19160, NSC 3363
• Linear Formula: C₂H₅OCO(CH₂)₄COOC₂H₅
• CAS Number: 141-28-6
• Molecular Weight: 202.25
• Beilstein: 1780035
• EC Number: 205-477-0
• MDL number: MFCD00009215
• UNSPSC Code: 85151701
• PubChem Substance ID: 329756259
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• Assay: ≥99.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.427 (lit.)
• bp: 251 °C (lit.)
• mp: −20-−19 °C (lit.)
• density: 1.009 g/mL at 25 °C (lit.)
• format: neat
• SMILES string: CCOC(=O)CCCCC(=O)OCC
• InChI: 1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
• InChI key: VIZORQUEIQEFRT-UHFFFAOYSA-N

Description

Other Notes

Ion Mobility: ^TWCCS_N2 value of 152.6 Å2 [M+Na]⁺

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 42697 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup