Carbestrol
[CAS# 1755-52-8]

Identification

• Name: Carbestrol
• Synonyms: 3-Ethyl-4-(4-Methoxyphenyl)-2-Methyl-Cyclohex-3-Ene-1-Carboxylic Acid; 3-Ethyl-4-(4-Methoxyphenyl)-2-Methyl-1-Cyclohex-3-Enecarboxylic Acid; 2-Methyl-3-Ethyl-4-P-Methoxyphenyl-Delta(Sup 3)-Cyclohexene Carboxylic Acid
• Molecular Formula: C₁₇H₂₂O₃
• Molecular Weight: 274.36
• CAS Registry Number: 1755-52-8
• SMILES: C2=C(C1=C(C(C(C(O)=O)CC1)C)CC)C=CC(=C2)OC
• InChI: 1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)
• InChIKey: VJKVHUZOVAWKEB-UHFFFAOYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 426.094°C at 760 mmHg (Cal.)
• Flash point: 152.332°C (Cal.)