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Diisobutyl adipate

Product NameDiisobutyl adipate
CAS141-04-8
MFC14H26O4
MW258.35
EINECS205-450-3
MOL File141-04-8.mol

Chemical Properties

Melting point	-17°C
Boiling point	293 °C (lit.)
Density	0.954 g/mL at 25 °C (lit.)
vapor pressure	15.1Pa at 20℃
FEMA	4475 \| DIISOBUTYL ADIPATE
refractive index	n20/D 1.432(lit.)
Flash point	>230 °F
storage temp.	Refrigerator
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Oil
color	Clear Colourless
Specific Gravity	0.953 (20/4℃)
Odor	mild estery
Odor Type	estery
Water Solubility	42.7mg/L at 25℃
JECFA Number	1967
Cosmetics Ingredients Functions	SKIN CONDITIONING SKIN CONDITIONING - EMOLLIENT SOLVENT PLASTICISER FRAGRANCE
Cosmetic Ingredient Review (CIR)	Diisobutyl adipate (141-04-8)
InChI	1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey	RDOFJDLLWVCMRU-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)CCCCC(=O)OCC(C)C
LogP	4.3 at 30℃
CAS DataBase Reference	141-04-8(CAS DataBase Reference)
NIST Chemistry Reference	Hexanedioic acid, bis(2-methylpropyl) ester(141-04-8)
EPA Substance Registry System	Diisobutyl adipate (141-04-8)

Safety Information

Risk Statements	36/37/38
Safety Statements	26-36/37/39-24/25
WGK Germany	1
RTECS	AV1480000
TSCA	TSCA listed
HS Code	29171200
Storage Class	10 - Combustible liquids
Hazardous Substances Data	141-04-8(Hazardous Substances Data)
Toxicity	LD50 oral in guinea pig: 12300uL/kg

MSDS

Provider	Language
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Uses

Diisobutyl adipate may be used as an analytical reference standard for the determination of the analyte in poly(vinyl chloride) plastics, human serum and food samples by gas chromatography (GC) based analytical techniques.

Uses

Diisobutyl Adipate can be used inthe yeast two-hybrid assay to identifyligand-dependent interaction between nuclear hormone receptors and coactivators. It can also be employed in microwave-assisted extraction to determine adipate plasticizers in poly(vinyl chloride). Furthermore,Diisobutyl Adipate is a useful compound for developing antimicrobial agents as antiseptics.

Definition

ChEBI: Diisobutyl adipate is a fatty acid ester.

General Description

Diisobutyl adipate is a bis(2-methylpropyl) ester of adipic acid that is used as a plasticizer and a fatty acid in synthetic oils.

Flammability and Explosibility

Not classified

Safety Profile

Moderately toxic by intraperitoneal route. Mddly toxic by ingestion. Experimental teratogenic effects. When heated to decomposition it emits acrid smoke and fumes.

Synthesis

(1) an esterification reaction step;

(2) a water washing step;

(3) a de-ethanolization step;

(4) a refining step in which a refining agent is added to the de-ethanolized crude product, and the refining is carried out with stirring for 1 hour. Said refined preparation is a mixture of sodium carbonate, magnesium carbonate, activated carbon, and magnesium sulfate at a weight ratio of 1:1:2:1.5.

(5) Filtration step, the refined mixture is filtered to obtain a diisobutyl adipate product.

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