CAS 144-15-0 Acetyl Trioctyl Citrate (ATOC) - Materials / Alfa Chemistry

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Acetyl Trioctyl Citrate (ATOC)

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Catalog Number

ACM144150-1

CAS Number

144-15-0

Product Name

Acetyl Trioctyl Citrate (ATOC)

Structure

Category

Plasticizers; Resin Additives

IUPAC Name

tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate

Molecular Weight

570.8g/mol

Molecular Formula

C32H58O8

Canonical SMILES

CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C

InChI

InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3

InChI Key

FRDNONBEXWDRDM-UHFFFAOYSA-N

Complexity

686

Covalently-Bonded Unit Count

EC Number

205-617-0

Exact Mass

570.413169g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

acetyl trioctyl citrate

Monoisotopic Mass

570.413169g/mol

Rotatable Bond Count

UNII

150CTM9A3J

XLogP3

8.9

MSDS

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COA

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Spec Sheet

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Bis(2-butoxyethyl) Ether

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Diethylene Glycol Dibenzoate (DEGDB)

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Dibutyl Maleate (DBM)

: ---
Dibutyl Phathalate (DBP)

: ---
Dibutyl Sebacate (DBS)

: ---