85006-09-3

Basic information

• Product Name: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)
• Synonyms: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate);Bis(3-octyloxiraneoctanoic acid)2,2-bis[[[8-(3-octyloxiranyl)-1-oxooctyl]oxy]methyl]-1,3-propanediyl ester;Einecs 285-039-3
• CAS NO: 85006-09-3
• Molecular Formula: C77H140O12
• Molecular Weight: 1257.9283
• EINECS: 285-039-3
• Mol File: 85006-09-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 1040.1°C at 760 mmHg
• Flash Point: 359°C
• Appearance: /
• Density: 0.982g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.48
• CAS DataBase Reference: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)(85006-09-3)
• EPA Substance Registry System: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)(85006-09-3)

Safety Data

• Hazardous Substances Data: 85006-09-3(Hazardous Substances Data)

Usage

Molecular structure

2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate) is a complex molecule with a propane-1,3-diol core and two 3-octyloxiran-2-octanoate moieties.

Propane-1,3-diol core

A central structure with two hydroxyl (-OH) groups.

Propane-1,3-diol core

The central structure that connects the other functional groups.

Octanoate group

A carboxylate (-COO-) group attached to an eight-carbon aliphatic chain.

Octyloxiranyl group

A five-membered cyclic ether with an eight-carbon aliphatic chain.

Octanoyl group

A carboxy (-COOH) group attached to an eight-carbon aliphatic chain.

3-octyloxiran-2-octanoate moieties

Two identical groups, each consisting of an octanoate group attached to an octyloxiranyl group.

Attachment points

The octanoyl groups are attached to the propane-1,3-diol core through their carboxyl (-COOH) group, while the octanoate groups are connected to the octyloxiranyl groups.

Potential applications

2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate) may have applications in materials science, chemistry, or pharmaceuticals due to its unique structure and potentially useful properties.

Complexity

The compound is highly complex, with multiple functional groups and a large molecular weight, which may contribute to its potential applications and properties.

InChI:InChI=1/C77H140O12/c1-5-9-13-17-25-37-49-65-69(86-65)53-41-29-21-33-45-57-73(78)82-61-77(62-83-74(79)58-46-34-22-30-42-54-70-66(87-70)50-38-26-18-14-10-6-2,63-84-75(80)59-47-35-23-31-43-55-71-67(88-71)51-39-27-19-15-11-7-3)64-85-76(81)60-48-36-24-32-44-56-72-68(89-72)52-40-28-20-16-12-8-4/h65-72H,5-64H2,1-4H3