Ethyl-d5 carbamate

Base Information

• Chemical Name: Ethyl-d5 carbamate
• CAS No.: 73962-07-9
• Molecular Formula: C3H2D5NO2
• Molecular Weight: 94.12
• Hs Code.: 28459000
• European Community (EC) Number: 622-090-6
• DSSTox Substance ID: DTXSID30584040
• Nikkaji Number: J2.142.209F
• Wikidata: Q82475670
• Mol file: 73962-07-9.mol

Synonyms:Ethyl-d5 carbamate;Urethane-d5;73962-07-9;1,1,2,2,2-pentadeuterioethyl carbamate;Urethane-d5 (ethyl-d5);(~2~H_5_)Ethyl carbamate;HY-B1207S;DTXSID30584040;MFCD00190444;Carbamic acid ethyl ester-(ethyl-D5);(1,1,2,2,2-?H?)ethyl carbamate;MS-22727;CS-0213823;Urethane-(ethyl-d5), 98 atom % D, 98% (CP)

Chemical Property of Ethyl-d5 carbamate

Chemical Property:

• Vapor Pressure: 0.748mmHg at 25°C
• Melting Point: 48.5-50 °C
• Refractive Index: 1.413
• Boiling Point: 184 °C at 760 mmHg
• Flash Point: 97.2 °C
• PSA: 52.32000
• Density: 1.104 g/cm³
• LogP: 0.80190
• Storage Temp.: Refrigerator
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 94.079062196
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

98%min ^*data from raw suppliers

Urethane-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-46-20/21/22-36/37/38
• Safety Statements: 53-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])OC(=O)N
• Uses: Isotope labelled Urethane (U82500), which is a naturally occurring contaminant in fermented foods, particularly wine, stone-fruit brandies, and bread. This substance is reasonably anticipated to be a human carcinogen (1) despite being an additive in some alcoholic beverages and foods (2). It binds covalently with DNA however due to its low unavoidable daily intake, it is considered of negligible concern (3).Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants. Labelled Urethane (U825300). Naturally occurring contaminant in fermented foods, particularly wine, stone-fruit brandies, and bread. This substance is reasonably anticipated to be a human carcinogen.