32401

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

analytical standard

• Synonym(s): 3-MCPD-d₅
• Empirical Formula (Hill Notation): C₃D₅H₂ClO₂
• CAS Number: 342611-01-2
• Molecular Weight: 115.57
• NACRES: NA.24
• PubChem Substance ID: 329754180
• UNSPSC Code: 85151701
• MDL number: MFCD01317355

Properties

• grade: analytical standard
• Quality Segment: 100
• 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

Description

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.

Safety Information

• pictograms: GHS06,GHS08,GHS05
• signalword: Danger
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• target_organs: Kidney, Testes
• hcodes: H290,H301,H315,H318,H330,H351,H360FD,H370,H372
• pcodes: P202 - P234 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• 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