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Merck
CN

14849

Triethyl citrate

analytical standard

Synonym(s):

Ethyl citrate

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About This Item

Linear Formula:
HOC(COOC2H5)(CH2COOC2H5)2
CAS Number:
77-93-0
Molecular Weight:
276.28
NACRES:
NA.24
E Number:
E1505
PubChem Substance ID:
329750637
UNSPSC Code:
85151701
EC Number:
201-070-7
MDL number:
MFCD00009201
Beilstein/REAXYS Number:
1801199

Key Documents

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Product Name

Triethyl citrate, analytical standard

InChI

1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

SMILES string

CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC

InChI key

DOOTYTYQINUNNV-UHFFFAOYSA-N

grade

analytical standard

vapor density

9.7 (vs air)

vapor pressure

1 mmHg ( 107 °C)

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.442 (lit.)
n20/D 1.443

bp

235 °C/150 mmHg (lit.)

density

1.14 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Triethyl citrate may be used as an analytical standard for the quantification of the analyte in pharmaceutical formulations using high-performance liquid chromatography (HPLC) with UV detection and leaves of Coriandrum sativum and Melia Azedarach medicinal plants using gas chromatography-mass spectrometry (GC-MS).

General description

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food.
Triethyl citrate is an ester of citric acid, commonly used as a sequestrant in beverages. It is also reported as an effective plasticizing agent.

Other Notes

Ion Mobility: TWCCSN2 value of 165.5 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 14849 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

311.0 °F - closed cup

flash_point_c

155 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH7003
BCCD8685
BCBZ8621
BCBW2755
BCBQ5950V

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Kirk-Othmer Food and Feed Technology, 2 (2007)
Analysis of bioactive chemical components of two medicinal plants (Coriandrum sativum and Melia azedarach) leaves using gas chromatography-mass spectrometry (GC-MS)
Al-Marzoqi HA, et al.
African Journal of Biotechnology, 14(40) (2015)
Dictionary of Food ingredients (2013)
Oral Controlled Release Formulation Design and Drug Delivery: Theory to Practice (2011)
Development and validation of a gradient HPLC method for the determination of clindamycin and related compounds in a novel tablet formulation.
Platzer DJ, White BA.
Journal of Pharmaceutical and Biomedical Analysis, 41(1), 84-88 (2006)
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