ChemicalBook--->CAS DataBase List--->109-43-3

109-43-3

109-43-3 Structure

109-43-3 Structure
IdentificationMore
[Name]

Dibutyl sebacate
[CAS]

109-43-3
[Synonyms]

ANILINE RED
BASIC FUCHSIN
BASIC FUCHSIN HYDROCHLORIDE
BASIC PARAFUCHSIN
BASIC PARAFUCHSIN HYDROCHLORIDE
BASIC RED 9
BASIC RED 9 HYDROCHLORIDE
BASIC RED 9, MONOHYDROCHLORIDE
CI 42500
CI 42510
CI NO 42500
CL 42500
FUCHSIN, BASIC
LABOTEST-BB LT00159713
MAGENTA
MAGENTA O
MAGENTA O HYDROCHLORIDE
PARAFUCHSIN
PARAFUCHSIN HYDROCHLORIDE
PARAMAGENTA
[EINECS(EC#)]

207-395-0
[Molecular Formula]

C18H34O4
[MDL Number]

MFCD00001657
[Molecular Weight]

314.46
[MOL File]

109-43-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Melting point ]

205 °C (dec.)(lit.)
[Boiling point ]

178-179 °C3 mm Hg(lit.)
[density ]

0.94
[vapor pressure ]

0.001Pa at 25℃
[FEMA ]

2373
[refractive index ]

n20/D 1.441(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

hexane, toluene, ethanol and acetone: soluble
[form ]

Liquid
[color ]

Clear
[Specific Gravity]

0.937 (20/4℃)
[Odor]

at 100.00 %. faint fruity oily
[Odor Type]

fruity
[Water Solubility ]

50mg/L(temperature not stated)
[Specific Heat Capacity]

Cp(liquid):619J/(g·K),at 25℃
[JECFA Number]

625
[BRN ]

1798308
[Henry's Law Constant]

2.0×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Dielectric constant]

4.5(30℃)
[Cosmetics Ingredients Functions]

PLASTICISER
FILM FORMING
HAIR CONDITIONING
SOLVENT
SKIN CONDITIONING - EMOLLIENT
FRAGRANCE
SKIN CONDITIONING
[Cosmetic Ingredient Review (CIR)]

Dibutyl sebacate (109-43-3)
[InChI]

1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
[InChIKey]

PYGXAGIECVVIOZ-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)CCCCCCCCC(=O)OCCCC
[LogP]

6.30
[CAS DataBase Reference]

109-43-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Di-n-butyl sebacate(109-43-3)
[EPA Substance Registry System]

109-43-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

VS1150000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171390
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Mddly toxic by ingestion. Experimental reproductive effects. Combustible liquid when exposed to heat or flame; can react with oxidzing materials. To fight fire, use CO2 position it emits acrid smoke and fumes. See also ESTERS and n-BUTYL. ALCOHOL.
[Hazardous Substances Data]

109-43-3(Hazardous Substances Data)
[Toxicity]

LD50 oral in rat: 14870mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

tert-Butanol-->Castor oil-->Sebacic acid-->Sebacoyl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dibutyl sebacate(109-43-3).msds
Hazard InformationBack Directory
[Description]

Dibutyl sebacate is a colorless oily liquid. Insoluble in water, soluble in alcohol, miscible with oils. Poorly soluble in Propylene glycol.Fruity, but very mild and oily odor of considerable tenacity.
[Chemical Properties]

clear liquid
[Chemical Properties]

Dibutyl sebacate is a clear, colorless, oily liquid with a bland to slight butyl odor.
[Uses]

Dibutyl sebacate has been used as a plasticizer to prepare free ethylcellulose films. It can be utilized as a core in liquid-core capsules with cross-linked alginate/polyacrylamide membrane prepared via co-extrusion jet-break-up method for the extraction of the pesticide, atrazine.
[Uses]

Dibutyl sebacate (DBS) is a dibutyl ester of sebacic acid. Dibutyl sebacate can be used for plastics in use in the food packaging industry, in plastics used for medical devices, and for pharmaceutical applications. Dibutyl sebacate is also used as a desensitizer in Otto fuel II, a torpedo monopropellant.
[Definition]

ChEBI: Dibutyl decanedioate is a fatty acid ester.
[Preparation]

By distillation of sebacic acid with butyl alcohol in the presence of concentrated HCl in benzene solution or by reacting butyl alcohol and sebacyl chloride
[Production Methods]

Dibutyl sebacate is manufactured by the esterification of n-butanol and sebacic acid in the presence of a suitable catalyst, and by the distillation of sebacic acid with n-butanol in the presence of concentrated acid.
[General Description]

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. Dibutyl sebacate is a commonly used plasticizer, which can be synthesized by the reaction of butyl alcohol and sebacyl chloride or by the distillation of sebacic acid with butyl alcohol in the presence of concentrated hydrochloric acid in benzene solution.
[Flammability and Explosibility]

Nonflammable
[Pharmaceutical Applications]

Dibutyl sebacate is used in oral pharmaceutical formulations as a plasticizer for film coatings on tablets, beads, and granules, at concentrations of 10–30% by weight of polymer. It is also used as a plasticizer in controlled-release tablets and microcapsule preparations.
Dibutyl sebacate is also used as a synthetic flavor and flavor adjuvant in food products;for example,up to 5ppm is used in ice cream and nonalcoholic beverages.
[Safety]

Dibutyl sebacate is used in cosmetics, foods, and oral pharmaceutical formulations, and is generally regarded as a nontoxic and nonirritant material. Following oral administration, dibutyl sebacate is metabolized in the same way as fats. In humans, direct eye contact and prolonged or repeated contact with the skin may cause very mild irritation. Acute animal toxicity tests and long-term animal feeding studies have shown no serious adverse effects to be associated with orally administered dibutyl sebacate.
LD50 (rat, oral): 16g/kg
[storage]

Dibutyl sebacate should be stored in a closed container in a cool, dry location. Dibutyl sebacate is stable under the recommended storage conditions and as used in specified applications under most conditions ofuse.Asanester,dibutylsebacatemayhydrolyzeinthe presence of water at high or low pH conditions.
[Incompatibilities]

Dibutyl sebacate is incompatible with strong oxidizing materials and strong alkalis.
[Regulatory Status]

Included in the FDA Inactive Ingredients Database (oral capsules, granules, film-coated, sustained action, and tablets). Included in the Canadian List of Acceptable Non-medicinal Ingredients.
Spectrum DetailBack Directory
[Spectrum Detail]

Dibutyl sebacate(109-43-3)MS
Dibutyl sebacate(109-43-3)1HNMR
Dibutyl sebacate(109-43-3)13CNMR
Dibutyl sebacate(109-43-3)IR1
Dibutyl sebacate(109-43-3)IR2
Dibutyl sebacate(109-43-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dibutyl sebacate, 93%(109-43-3)
[Alfa Aesar]

Di-n-butyl sebacate, 94%(109-43-3)
[Sigma Aldrich]

109-43-3(sigmaaldrich)
[TCI AMERICA]

Dibutyl Sebacate,>98.0%(GC)(109-43-3)
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