(5,5-Dimethyl-3-Oxo-1-Cyclohexenyl) N,N-Dimethylcarbamate
[CAS# 122-15-6]

Identification

• Name: (5,5-Dimethyl-3-Oxo-1-Cyclohexenyl) N,N-Dimethylcarbamate
• Synonyms: N,N-Dimethylcarbamic Acid (5,5-Dimethyl-3-Oxo-1-Cyclohexenyl) Ester; N,N-Dimethylcarbamic Acid (3-Keto-5,5-Dimethyl-1-Cyclohexenyl) Ester; Carbamic Acid, Dimethyl-, 5,5-Dimethyl-3-Oxo-1-Cyclohexene-1-Yl Ester (9Ci)
• Molecular Formula: C₁₁H₁₇NO₃
• Molecular Weight: 211.26
• CAS Registry Number: 122-15-6
• EINECS: 204-525-8
• SMILES: CC1(CC(=CC(C1)=O)OC(=O)N(C)C)C
• InChI: 1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3
• InChIKey: ITEQSCBLCCNACE-UHFFFAOYSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 292.482°C at 760 mmHg (Cal.)
• Flash point: 130.689°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493