偏苯三酸三辛酯

Description

Trioctyl Trimellitate · CAS 3319-31-1 · C33H54O6. UNII 378539Q830. Boiling Point: 414 °C; Melting Point: -46 °C; Flash Point: 263 °C (505 °F) (Closed cup).

Identification

CAS Registry Number	3319-31-1
PubChem CID	18725
Molecular formula	C33H54O6
IUPAC name	tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
UNII (FDA)	378539Q830

Computed Descriptors

Molecular Weight	546.8
XLogP3	10.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	24
Exact Mass	546.39203944
Monoisotopic Mass	546.39203944
Topological Polar Surface Area	78.9
Heavy Atom Count	39
Formal Charge	0

Physical & Chemical Properties

Boiling Point	414 °C
Melting Point	-46 °C
Flash Point	263 °C (505 °F) (Closed cup)
Solubility	In water, 3.9X10-4 mg/L at 25 °C
LogP	log Kow = 5.94
Collision Cross Section	264.41 Ų [M+Na]+

Physical description & handling notes

• Tris(2-ethylhexyl) trimellitate is a yellow oily liquid. (NTP, 1992)
• Liquid; Large Crystals; Liquid
• Yellow liquid; [HSDB] Light yellow odorless viscous liquid; [MSDSonline]
• Yellow oily liquid
• greater than 200 °F (NTP, 1992)
• less than 1 mg/mL at 68 °F (NTP, 1992)

Regulatory Status

Regulatory & Food Contact

FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS Tris(2-ethylhexyl) trimellitate (CAS Reg. No. 3319-31-1) The FCS is intended for use as a plasticizer in repeated-use food-contact vinyl chloride polymers, except for The FCS is intended for use as a plasticizer in repeated-use, food-contact vinyl chloride polymers, except for CIR / INCI: Cosmetic ingredients (Triethylhexyl Trimellitate) -> CIR (Cosmetic Ingredient Review)

Documented Uses

• CIR ingredient: Triethylhexyl Trimellitate
• Plastics -> Typical concentration range in plastic materials -> 35%
• Plastics -> Polymer Type -> PVC (soft)
• Not Known or Reasonably Ascertainable
• ESTERIFICATION OF TRIMELLITIC ANHYDRIDE WITH 2-ETHYLHEXYL ALCOHOL
• ESSENTIALLY 100% AS A PLASTICIZER

Synonyms

3319-31-1; Trioctyl trimellitate; TRIS(2-ETHYLHEXYL) TRIMELLITATE; Totm; Tri-2-ethylhexyl trimellitate; Staflex TOTM; Morflex 510; Hatcol 200; Trimex T 08; 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester; DTXSID9026265; Monosizer W710L; DTXCID806265; 378539Q830; RefChem:900194; Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Frequently Asked Questions

What are the CAS number and molecular formula of Trioctyl Trimellitate?

CAS 3319-31-1; molecular formula C33H54O6; molecular weight — g/mol.

What other names is Trioctyl Trimellitate known by?

3319-31-1, Trioctyl trimellitate, TRIS(2-ETHYLHEXYL) TRIMELLITATE, Totm, Tri-2-ethylhexyl trimellitate, Staflex TOTM.

What is the regulatory status of Trioctyl Trimellitate?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS; Tris(2-ethylhexyl) trimellitate (CAS Reg. No. 3319-31-1).

What are the key physical properties of Trioctyl Trimellitate?

Boiling Point: 414 °C; Melting Point: -46 °C; Flash Point: 263 °C (505 °F) (Closed cup); Solubility: In water, 3.9X10-4 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.