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Merck
CN

32401

(±)-3-Chloro-1,2-propane-1,1,2,3,3-d5-diol

analytical standard

Synonym(s):

3-MCPD-d5

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About This Item

Empirical Formula (Hill Notation):
C3D5H2ClO2
CAS Number:
Molecular Weight:
115.57
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
MDL number:
Technical Service
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grade

analytical standard

Quality Segment

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

mass shift

M+5

SMILES string

[2H]C([2H])(O)C([2H])(O)C([2H])([2H])Cl

InChI

1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/i1D2,2D2,3D

InChI key

SSZWWUDQMAHNAQ-UXXIZXEISA-N

General description

3-MCPD-d5 is the deuterated form of 3-MCDP.

Application

The internal standard can also be used in analyses as follows:
  • Determination of 3-monochloro-1,2-propanediol and 1,3-dichloro-2-propanol in various food product samples by liquid-liquid extraction (LLE) and gas chromatography-mass spectrometry (GC-MS)
  • Simultaneous analysis of 3-monochloropropanediol and glycidyl ester derivatives in fish oil samples using gas chromatography-tandem mass spectrometry (GC-MS/MS) following their derivatization with phenylboronic acid (PBA)
  • Development and validation of an ultra-high performance liquid chromatography-electrospray ionization-tandem triple quadrupole mass spectrometry (UHPLC-ESI-MS/MS) method for the measurement of 3-monochloropropane-1,2-diol in Caco-2 cells
  • Estimation of 3- and 2-monochloropropanediol esters in 10 extra virgin olive oil and 1 sunflower oil samples using an automated sample preparation procedure combined with GC-MS/MS
  • GC-MS method-based determination of total 3-MCPD concentration in edible fats and oils.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.


signalword

Danger

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

target_organs

Kidney, Testes

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Carc. 2 - Eye Dam. 1 - Met. Corr. 1 - Repr. 1B - Skin Irrit. 2 - STOT RE 1 - STOT SE 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup



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