Octyl Carbamate
[CAS# 2029-64-3]

Identification

• Name: Octyl Carbamate
• Synonyms: Carbamic Acid Octyl Ester; Usaf El-102; 4-03-00-00059 (Beilstein Handbook Reference)
• Molecular Formula: C₉H₁₉NO₂
• Molecular Weight: 173.25
• CAS Registry Number: 2029-64-3
• SMILES: C(CCCCCC)COC(N)=O
• InChI: 1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)
• InChIKey: YPNZTHVEMNUDND-UHFFFAOYSA-N

Properties

• Density: 0.94g/cm³ (Cal.)
• Boiling point: 272.937°C at 760 mmHg (Cal.)
• Flash point: 103.831°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