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1116-54-7

1116-54-7 Structure

1116-54-7 Structure
IdentificationMore
[Name]

N-NITROSODIETHANOLAMINE
[CAS]

1116-54-7
[Synonyms]

DIETHANOLNITROSAMINE
N-NITROSODIETHANOLAMINE
2,2’-(nitrosoimino)bis-ethano
2,2’-(nitrosoimino)bisethanol
2,2’-(nitrosoimino)bis-Ethanol
2,2’-dihydroxy-n-nitroso-diethylamin
2,2’-iminodi-n-nitrosoethanol
2,2’-nitrosiminodi-ethano
bis-(2-hydroxy-ethyl)-nitroso-amine
bis(beta-hydroxyaethyl)nitrosamin
bis(beta-hydroxyethyl)nitrosamine
bis-2-hydroxy-ethyl-nitroso-amine
di-(2-hydroxyethyl)-nitrosamine
diaethanolnitrosamin
diethanolnitrosoamine
n,n-diethanolnitrosamine
nci-c55583
ndela
nitrosodiethanolamine
nitrosoiminodiethanol
[EINECS(EC#)]

214-237-4
[Molecular Formula]

C4H10N2O3
[MDL Number]

MFCD00015522
[Molecular Weight]

134.13
[MOL File]

1116-54-7.mol
Chemical PropertiesBack Directory
[Melting point ]

200 °C (decomp)
[Boiling point ]

bp0.01 125°
[density ]

1,26 g/cm3
[refractive index ]

nD20 1.4849
[Fp ]

11℃
[storage temp. ]

2-8°C
[solubility ]

DMSO (Soluble), Ethyl Acetate (Sparingly), Methanol (Soluble), Water (Sparingly)
[Water Solubility ]

Completely miscible in water
[form ]

clear liquid to slightly cloudy liquid
[pka]

13.76±0.10(Predicted)
[color ]

Light yellow to Brown
[Merck ]

6634
[BRN ]

1762620
[CAS DataBase Reference]

1116-54-7(CAS DataBase Reference)
[IARC]

2B (Vol. 17, Sup 7, 77) 2000
[EPA Substance Registry System]

N-Nitrosodiethanolamine (1116-54-7)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R45:May cause cancer.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

1
[RTECS ]

KL9550000
[TSCA ]

TSCA listed
[HS Code ]

2922.19.9690
[HazardClass ]

3.1
[PackingGroup ]

II
[Safety Profile]

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data.Mildly toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and ALCOHOLS.
[Hazardous Substances Data]

1116-54-7(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 7500 mg/kg GISAAA 40(1),81,75
Hazard InformationBack Directory
[General Description]

Yellow to dark brown very viscous liquid with no distinct odor.
[Reactivity Profile]

N-NITROSODIETHANOLAMINE(1116-54-7) can react with alkoxides. N-NITROSODIETHANOLAMINE(1116-54-7) reacts with sulfuric acid at temperatures above 311° F.
[Air & Water Reactions]

Water soluble.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: This compound may be harmful by eye or skin contact, inhalation or ingestion. It is an irritant and, when heated to decomposition, it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides.
[Fire Hazard]

Flash point data for this chemical are not available; however, N-NITROSODIETHANOLAMINE is probably combustible.
[Chemical Properties]

Reddish Yellow Oil
[Uses]

A potent liver carcinogen in several species of animals, is one of the most widespread N-nitroso compounds in the human environment.
[Definition]

ChEBI: N-Nitrosodiethanolamine is a nitroso compound.
[Carcinogenicity]

N-Nitrosodiethanolamine is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
[Purification Methods]

Purify NDELA by dissolving the amine (0.5g) in 1-propanol (10mL) and 5g of anhydrous Na2SO4 added with stirring. After standing for 1-2hours, it is filtered and passed through a chromatographic column packed with 10mL of AG 50W x 8 (H+form 50-100mesh, a strongly acidic cation exchanger). The eluent and washings (50 mL EtOH) are combined and evaporated to dryness at 35o. It has also been extracted with EtOH from the nitrosation mixture of ethanolamine, filtered and distilled under high vacuum. [Fukuda et al. Anal Chem 53 2000 1981, Jones & Wilson J Chem Soc 550, 1949, Beilstein 1 III 721, see Spiegelhalder et al. N-Nitroso Compounds: Occurrence Biological Effects and Relevance in Human Cancer (eds. O’Neill et al. IARC Scientific Publications No 57; IARC Lyon p943 1984.] Possible
[Toxics Screening Level]

The Initial Risk Screening Level (IRSL) for n-nitrosodiethanolamine is 0.0012 μg/m3 based on an annual averaging time.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1116-54-7(sigmaaldrich)
[TCI AMERICA]

N-Nitrosodiethanolamine,>97.0%(GC)(1116-54-7)
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