Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

Substance identity

Identification

Display Name:

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

EC Number:

306-085-3

EC Name:

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

CAS Number:

95912-89-3

Molecular formula:

not applicable, UVCB

IUPAC Name:

Fatty acids, C8-10 (even numbered), mixed esters with adipic acid and trimethylolpropane

Type of Substance

Composition:

UVCB

Origin:

organic

Substance Identifiers

Trade name

Rodalube 60046

[Confidential]

[Confidential]

[Confidential]

[Confidential]

[Confidential]

Compositions

Boundary Composition(s)

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

State Form:

liquid

Constituent 1

Reference substance name:

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

EC Number:

306-085-3

EC Name:

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

CAS Number:

95912-89-3

Molecular formula:

not applicable, UVCB

IUPAC Name:

Fatty acids, C8-10 (even numbered), mixed esters with adipic acid and trimethylolpropane

Legal Entity Composition(s)

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

State Form:

liquid

Constituent 1

Reference substance name:

Hexanoic acid

EC Number:

205-550-7

EC Name:

Hexanoic acid

CAS Number:

142-62-1

Molecular formula:

C6H12O2

IUPAC Name:

hexanoic acid

Constituent 2

Reference substance name:

Octanoic acid

EC Number:

204-677-5

EC Name:

Octanoic acid

CAS Number:

124-07-2

Molecular formula:

C8H16O2

IUPAC Name:

octanoic acid

Constituent 3

Reference substance name:

Decanoic acid

EC Number:

206-376-4

EC Name:

Decanoic acid

CAS Number:

334-48-5

Molecular formula:

C10H20O2

IUPAC Name:

decanoic acid

Constituent 4

Reference substance name:

Lauric acid

EC Number:

205-582-1

EC Name:

Lauric acid

CAS Number:

143-07-7

Molecular formula:

C12H24O2

IUPAC Name:

lauric acid

Constituent 5

Reference substance name:

Propylidynetrimethanol

EC Number:

201-074-9

EC Name:

Propylidynetrimethanol

CAS Number:

77-99-6

Molecular formula:

C6H14O3

IUPAC Name:

2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Constituent 6

Reference substance name:

Fatty acids, C8-10

EC Number:

273-086-2

EC Name:

Fatty acids, C8-10

CAS Number:

68937-75-7

Molecular formula:

CnH(2n)O2 with n=8 or n=10

IUPAC Name:

Fatty acids, C8-10 (even numbered)

Constituent 7

Reference substance name:

Adipic acid

EC Number:

204-673-3

EC Name:

Adipic acid

CAS Number:

124-04-9

Molecular formula:

C6H10O4

IUPAC Name:

adipic acid

Composition 3

State Form:

liquid

Constituent 1

Reference substance name:

Propylidynetrimethanol

EC Number:

201-074-9

EC Name:

Propylidynetrimethanol

CAS Number:

77-99-6

Molecular formula:

C6H14O3

IUPAC Name:

2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Constituent 2

Reference substance name:

Adipic acid

EC Number:

204-673-3

EC Name:

Adipic acid

CAS Number:

124-04-9

Molecular formula:

C6H10O4

IUPAC Name:

adipic acid

Constituent 3

Reference substance name:

Decanoic acid

EC Number:

206-376-4

EC Name:

Decanoic acid

CAS Number:

334-48-5

Molecular formula:

C10H20O2

IUPAC Name:

decanoic acid

Constituent 4

Reference substance name:

Octanoic acid

EC Number:

204-677-5

EC Name:

Octanoic acid

CAS Number:

124-07-2

Molecular formula:

C8H16O2

IUPAC Name:

octanoic acid

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

State Form:

liquid

Constituent 1

Reference substance name:

Fatty acids, C8-10-(even numbered), diesters and triesters with trimethylolpropane

EC Number:

812-652-0

Molecular formula:

this substance is a UVCB; no definite molecular formula can be provided

IUPAC Name:

Fatty acids, C8-10-(even numbered), diesters and triesters with trimethylolpropane

Constituent 2

Reference substance name:

Fatty acids, C8-10 (even numbered), esters with bis(2,2-bis(hydroxymethyl)butyl) adipate

Molecular formula:

not applicable, UVCB

IUPAC Name:

Fatty acids, C8-10 (even numbered), esters with bis(2,2-bis(hydroxymethyl)butyl) adipate

Constituent 3

Reference substance name:

Fatty acids, C8-10 (even numbered), esters with trimethylolpropane / adipic acid oligomers

Molecular formula:

not applicable, UVCB

IUPAC Name:

Fatty acids, C8-10 (even numbered), esters with trimethylolpropane / adipic acid oligomers

Constituent 4

Reference substance name:

Unknown constituents/impurities

Molecular formula:

not applicable, UVCB

IUPAC Name:

Unknown constituents/impurities

Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

State Form:

liquid

Constituent 1

Reference substance name:

Adipic acid, diester with trimethylolpropane trisubstituted (one TMP is disubstitued, the other mono, caprate/caprylate)

Molecular formula:

C42H75O12; C44H79O12; C46H83O12

IUPAC Name:

Adipic acid, diester with trimethylolpropane trisubstituted (one TMP is disubstitued, the other mono, caprate/caprylate)

Constituent 2

Reference substance name:

Adipic acid, diester with trimethylolpropane, polymer (two monomers) hexasubstituted The TMPs are substituted (caprate/caprylate)

Molecular formula:

n.a.

IUPAC Name:

Adipic acid, diester with trimethylolpropane, polymer (two monomers) hexasubstituted The TMPs are substituted (caprate/caprylate)

Constituent 3

Reference substance name:

adipic acid, esters with trimethylpropane polymer and fatty acids, C8-10

Molecular formula:

no single structure

IUPAC Name:

adipic acid, esters with trimethylpropane polymer and fatty acids, C8-10

Constituent 4

Reference substance name:

Propylidynetrimethanol

EC Number:

201-074-9

EC Name:

Propylidynetrimethanol

CAS Number:

77-99-6

Molecular formula:

C6H14O3

IUPAC Name:

2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Constituent 5

Reference substance name:

Adipic acid

EC Number:

204-673-3

EC Name:

Adipic acid

CAS Number:

124-04-9

Molecular formula:

C6H10O4

IUPAC Name:

adipic acid

Constituent 6

Reference substance name:

Fatty acids, C8-10

EC Number:

273-086-2

EC Name:

Fatty acids, C8-10

CAS Number:

68937-75-7

Molecular formula:

CnH(2n)O2 with n=8 or n=10

IUPAC Name:

Fatty acids, C8-10 (even numbered)

EC 306-085-3 - CAS 95912-89-3 - Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane

State Form:

liquid

Constituent 1

Reference substance name:

2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate

EC Number:

225-404-6

EC Name:

2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate

CAS Number:

4826-87-3

Molecular formula:

C30H56O6

IUPAC Name:

2,2-bis[(octanoyloxy)methyl]butyl octanoate (non-preferred name)

Constituent 2

Reference substance name:

2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate

EC Number:

201-090-6

EC Name:

2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate

CAS Number:

78-17-1

Molecular formula:

C36H68O6

IUPAC Name:

2,2-bis[(decanoyloxy)methyl]butyl decanoate (non-preferred name)

Constituent 3

Reference substance name:

Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate

EC Number:

234-392-1

EC Name:

Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate

CAS Number:

11138-60-6

Molecular formula:

C32H60O6

IUPAC Name:

2,2-bis[(octanoyloxy)methyl]butyl decanoate

Constituent 4

Reference substance name:

2-ethyl-2-[[(1-oxoctyl)oxy]methyl]-1,3-propanediyl didecanoate

Molecular formula:

C34H64O6

IUPAC Name:

2-ethyl-2-[[(1-oxoctyl)oxy]methyl]-1,3-propanediyl didecanoate

Constituent 5

Reference substance name:

Adipic acid, diester with trimethylolpropane tetrasubstitued (each TMP is disubstitued, caprate/caprylate)

Molecular formula:

C49H64O12; C51H94O12; C53H98O12; C55H102O12

IUPAC Name:

Adipic acid, diester with trimethylolpropane tetrasubstitued (each TMP is disubstitued, caprate/caprylate)

Constituent 6

Reference substance name:

Adipic acid, diester with trimethylolpropane, polymer (two monomers) pentasubstituted The final TMPs are disubstituted, while the central one is monosubstituted (caprate/caprylate)

Molecular formula:

C71H124O18; C73H128O18; C75H132O18; C77H136O18; C79H140O18; C81H144O18

IUPAC Name:

Adipic acid, diester with trimethylolpropane, polymer (two monomers) pentasubstituted The final TMPs are disubstituted, while the central one is monosubstituted (caprate/caprylate)

Constituent 7