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614661

Sigma-Aldrich

3-Chloro-1,2-propanediol-1,1,2,3,3-d5

98 atom % D, 97% (CP)

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About This Item

Linear Formula:
ClCD2CD(OH)CD2OH
Molecular Weight:
115.57
MDL number:
UNSPSC Code:
12352101
PubChem Substance ID:

isotopic purity

98 atom % D

Quality Level

Assay

97% (CP)

bp

216-219 °C

density

1.381 g/mL at 25 °C

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

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 2 Oral - Carc. 2 - Eye Dam. 1 - Muta. 2 - Repr. 1B

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Poisonous substance

PRTR

Class II Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

614661-BULK:
614661-VAR:
614661-100MG:


Certificates of Analysis (COA)

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Thorsten Buhrke et al.
Archives of toxicology, 89(12), 2243-2251 (2014-10-31)
The food contaminants 3-chloro-1,2-propanediol (3-MCPD) and 3-MCPD fatty acid esters have attracted considerable attention in the past few years due to their toxic properties and their occurrence in numerous foods. Recently, significant amounts of the isomeric compounds 2-chloro-1,3-propanediol (2-MCPD) fatty
Roberta Andreoli et al.
Analytical and bioanalytical chemistry, 407(16), 4823-4827 (2015-04-12)
A new method for the simultaneous quantitative determination in human urine of 3-monochloropropane-1,2-diol (3-MCPD), a toxic food contaminant, and its metabolite, 2,3-dihydroxypropyl mercapturic acid (DHPMA), was developed and validated. After urine dilution, the analytes were separated on an Atlantis®dC18 column

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