Ditridecyl Adipate

HCID 85653CAS 16958-92-2

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC
InChIKey: LZJUZSYHFSVIGJ-UHFFFAOYSA-N
Molecular formula: C32H62O4
Average molar mass: 510.8 g/mol
Monoisotopic mass: 510.46481046

Names & identifiers

Preferred name: Ditridecyl Adipate
IUPAC: ditridecyl hexanedioate
English name: DI(TRIDECYL) ADIPATE
Molecular formula: C32H62O4
Molecular weight: 510.83

Names & synonyms

Ditridecyl adipateBis(tridecyl) adipateHexanedioic acid, ditridecyl esterUNII-7CCE2L906BHexanedioic acid, 1,6-ditridecyl ester7CCE2L906BCEREPLAS DTDAPLASTHALL DTDAEDENOL DTDAEINECS 241-029-0DTXSID9027786EC 241-029-0

Show more names

DTDADitridecyladipatDitridecyl dimerateDI(TRIDECYL) ADIPATELZJUZSYHFSVIGJ-UHFFFAOYSA-NDimer acid, ditridecyl esterHexanedioicacid,ditridecylester

1-TRIDECANOL, ADIPATE (2:1)JAYFLEX DTDARefChem:135222DTXCID907786DITRIDECYL ADIPATE [INCI]Hexanedioic acid, 1,6ditridecyl esterDitridecyl hexanedioate16958-92-2

Database identifiers

CAS: 16958-92-2
PubChem CID: 85653
DTXSID: DTXSID9027786
UNII: 7CCE2L906B
EC Number: 241-029-0
Nikkaji: J125.435I

Properties

Computed structural properties

XLogP: 12.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 31
Heavy atoms: 36
Formal charge: 0
Complexity: 421

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Esters, Other

Polymers · 2 items

Plastics -> Plasticisers

Plastics -> PUR; PVC (soft)

Cosmetics · 2 items

Cosmetic ingredients (Ditridecyl Adipate) -> CIR (Cosmetic Ingredient Review)

Emollient

PlasticizersPlasticizer

Physical Description · 2 items

Liquid

Clear colorless liquid with a mild odor; [ExxonMobil MSDS]

Physicochemical properties

Melting point: 45.9 °C · 45.9 °C
Boiling point: 503 · 503.0±18.0 °C(Predicted)
Density: 0.906 · 0.906±0.06 g/cm3(Predicted)
Pour Point: -57 · -57
refractive index: 1.459 · 1.459
Flash point: 455 · 455
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly, Heated)
form: Solid
color: White to Off-White
Viscosity: 26.7 cs · 26.7cs (40C)
Cosmetics Ingredients Functions: SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGSOLVENT
Cosmetic Ingredient Review (CIR): DI(TRIDECYL) ADIPATE (16958-92-2)
LogP: 13.177 · 13.177 (est)
FDA UNII: 7 CCE2L906B · 7CCE2L906B
EPA Substance Registry System: Hexanedioic acid, ditridecyl ester (16958-92-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 96.8% (548 of 566) of all reports.

Not Classified

Aggregated GHS information provided per 566 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Hexanedioic acid, ditridecyl ester

Hexanedioic acid, 1,6-ditridecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-ditridecyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12530

Hexanedioic acid, ditridecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards Summary · 1 item

May cause irritation; Low order of toxicity; [ExxonMobil MSDS] No mortalities observed in dermal lethal-dose study of rabbits; No systemic toxicity observed in 13-week dermal study of rats at doses up to 2,000 mg/kg/day; Other category members and supporting chemicals demonstrated effects including histopathological changes of the kidney and liver, changes in enzyme activities, lesions of heart, kidney, and liver in repeated-dose oral and dermal studies; Developmental toxicity at or below doses maternally toxic; No effects to gonads; No evidence of mutagenicity; [EPA ChAMP: Screening Level Hazard Characterization: Diesters] This document also reviews several other diesters in Haz-Map: Di-2-ethylhexyl maleate, Diisooctyl adipate, Di-2-ethylhexyl azelate, Bis(2-ethylhexyl) sebacate, and Di(2-ethylhexyl) adipate.

Hazard Classes and CategoriesNot Classified

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Toxicity DataLC50 (rat) > 3,200 mg/m3/4hr

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H317
REACH Registrations: Active
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Uses & manufacturing

Uses · 3 items

CIR ingredient: Ditridecyl Adipate

Used as a lubricant; [ExxonMobil MSDS]

Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesLubricating agent

Industry UsesLubricating agent

Use Classification · 3 items

Cosmetics -> Emollient

Plastics -> Polymer Type -> PUR; PVC (soft)

Plastics -> Plasticisers

General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

Hexanedioic acid, 1,6-ditridecyl ester: ACTIVE

Applications

UsesDitridecyl Adipate can be used as a skin conditioning or fragrance ingredient, plasticizer, solvent or emollient in cosmetics. Also used in combination with other compounds as a finisher for texturing of polyester yarns.