Butanedioic Acid 1-[2-(2-Chloro-5-Methylphenoxy)-1-[[(1,1-Dimethylethyl)Amino]Methyl]Ethyl]4-[2-[(1-Oxohexadecyl)Oxy]-1-[[(1-Oxohexadecyl)Oxy]Methyl]Ethyl] Ester Hydrochloride(1:1)
[CAS# 99026-79-6]

Identification

• Name: Butanedioic Acid 1-[2-(2-Chloro-5-Methylphenoxy)-1-[[(1,1-Dimethylethyl)Amino]Methyl]Ethyl]4-[2-[(1-Oxohexadecyl)Oxy]-1-[[(1-Oxohexadecyl)Oxy]Methyl]Ethyl] Ester Hydrochloride(1:1)
• Synonyms: [1-[(Tert-Butylamino)Methyl]-2-(2-Chloro-5-Methyl-Phenoxy)Ethyl] [2-Hexadecanoyloxy-1-(Hexadecanoyloxymethyl)Ethyl] Butanedioate Hydrochloride; Butanedioic Acid [1-[(Tert-Butylamino)Methyl]-2-(2-Chloro-5-Methylphenoxy)Ethyl] Ester [2-(1-Oxohexadecoxy)-1-(1-Oxohexadecoxymethyl)Ethyl] Ester Hydrochloride; Succinic Acid [1-[(Tert-Butylamino)Methyl]-2-(2-Chloro-5-Methyl-Phenoxy)Ethyl] Ester [2-Hexadecanoyloxy-1-(Hexadecanoyloxymethyl)Ethyl] Ester Hydrochloride
• Molecular Formula: C₅₃H₉₃Cl₂NO₉
• Molecular Weight: 959.23
• CAS Registry Number: 99026-79-6
• SMILES: [H+].C1=C(C=CC(=C1OCC(OC(=O)CCC(OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)=O)CNC(C)(C)C)Cl)C.[Cl-]
• InChI: 1S/C53H92ClNO9.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(56)61-42-46(43-62-50(57)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)64-52(59)38-37-51(58)63-45(40-55-53(4,5)6)41-60-48-39-44(3)35-36-47(48)54;/h35-36,39,45-46,55H,7-34,37-38,40-43H2,1-6H3;1H
• InChIKey: SHTNCSPEDGTLDP-UHFFFAOYSA-N

Properties

• Boiling point: 840.5°C at 760 mmHg (Cal.)
• Flash point: 462.1°C (Cal.)