ethyl (dimethylcarbamoyl)formate

• ChemBase ID: 107344
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: CCOC(=O)C(=O)N(C)C
• Canonical SMILES: CCOC(=O)C(=O)N(C)C
• InChI: InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3
• InChIKey: HMALWDVRMHVUAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (dimethylcarbamoyl)formate
• IUPAC Traditional name: ethyl (dimethylcarbamoyl)formate
• Synonyms: ETHYL N,N-DIMETHYLOXAMATE; Ethyl N,N-dimethyloxamate; N,N-Dimethyloxamic acid ethyl ester; N,N-二甲基草酸乙酯

Database IDs

• CAS Number: 16703-52-9
• EC Number: 240-755-5
• MDL Number: MFCD00015153
• Beilstein Number: 1906209
• PubChem SID: 162093443; 24868185
• PubChem CID: 85553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.112693295
• LogD (pH = 7.4): 0.112693295
• Log P: 0.112693295
• Molar Refractivity: 35.5719 cm^3
• Polarizability: 13.839958 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-106 °C/7 mmHg(lit.); 118-120°C/10mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.068; 1.068 g/mL at 25 °C(lit.)
• Refractive Index: 1.4430; n20/D 1.442(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43
• Safety Statements: 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3)2NCOCO2C2H5

DETAILS

MP Biomedicals - 05203384

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 445487

Packaging
5 mL in glass bottle