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Merck
CN

74596

N-Nitrosodiethanolamine

analytical standard

Synonym(s):

2,2′-(Nitrosoimino)bisethanol, N,N-Diethanolnitrosamine, Bis(2-hydroxyethyl)nitrosamine, NDELA

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About This Item

Empirical Formula (Hill Notation):
C4H10N2O3
CAS Number:
1116-54-7
Molecular Weight:
134.13
EC Number:
214-237-4
UNSPSC Code:
12352200
PubChem Substance ID:
329765022
Beilstein/REAXYS Number:
1762620
MDL number:
MFCD00015522

Key Documents

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InChI key

YFCDLVPYFMHRQZ-UHFFFAOYSA-N

InChI

1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

SMILES string

OCCN(N=O)CCO

grade

analytical standard

assay

≥97.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤1.5% water

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

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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.

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

hcodes

H225,H350

Hazard Classifications

Carc. 1B - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

52.9 °F - closed cup

flash_point_c

11.6 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

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Afzal Aqeel et al.
Environmental technology, 41(11), 1391-1400 (2018-10-20)
Post-combustion CO2 capture using amine solvents is the most feasible method of reducing anthropogenic CO2 emissions, which are the largest contributor to global warming. The formation of carcinogenic N-nitrosamines (i.e. by-products) can hinder the industrial application of this technology. In
The mechanism of bioactivation of N-nitrosodiethanolamine.
R N Loeppky
Drug metabolism reviews, 31(1), 175-193 (1999-03-05)
N-nitrosodiethanolamine.
IARC monographs on the evaluation of carcinogenic risks to humans, 77, 403-438 (2000-12-02)
Gary M Williams et al.
Toxicological sciences : an official journal of the Society of Toxicology, 141(1), 18-28 (2014-06-29)
The chicken egg genotoxicity assay (CEGA), which utilizes the liver of an intact and aseptic embryo-fetal test organism, was evaluated using four activation-dependent DNA-reactive carcinogens and four structurally related less potent carcinogens or non-carcinogens. In the assay, three daily doses
Kyung-Mi Joo et al.
Talanta, 137, 109-119 (2015-03-17)
A rapid, sensitive, accurate and specific ultra-performance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS) method for the detection of N-nitrosodiethanolamine (NDELA), a highly toxic contaminant in cosmetic raw materials and products was developed and validated. Systematized sample preparation steps

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