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HCID 7986Erstellt: 4. November 2026

Dibutyl Sebacate

https://huagongshe.com/de/chemical/7986

Molekülstruktur von Dibutyl Sebacate

Identifikatoren & physikalische Daten

CAS No.109-43-3
SummenformelC18H34O4
Durchschnittliche Molmasse314,5 g/mol
Monoisotopische Masse314,24570956 g/mol
SMILESCCCCOC(=O)CCCCCCCCC(=O)OCCCC
InChIKeyPYGXAGIECVVIOZ-UHFFFAOYSA-N
PubChem CID7986
ChEMBLCHEMBL2106225
ChEBICHEBI:165632
EC No.203-672-5
DTXSIDDTXSID1041847

Chemische & physikalische Eigenschaften

XLogP5,3
Polarare Oberfläche (TPSA)52,6
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen17
Schwere Atome22
Formalladung0
Komplexität248
StoffklassenOther Classes -> Esters, Other
PolymersPlastics -> PURPVC (soft)Plastics -> Plasticisers
KosmetikaCosmetic ingredients (Dibutyl Sebacate) -> CIR (Cosmetic Ingredient Review)Skin conditioningHair conditioningPlasticiserFilm formingEmollient
GeruchOdorless
PlasticizersPlasticizer
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.9405 @ 15 °CRelative density (water = 1): 0.90.936-0.940 (20 °C)
AromastoffeEU Flavoring substances
Color/FormColorless liquid
LöslichkeitSoluble in ethyl etherwater solubility = 40 mg/l @ 20 °C0.04 mg/mL at 20 °CSolubility in water: noneinsoluble in watersoluble in alcoholmiscible in oil(in ethanol)
Flammpunkt353 °F (178 °C) (OPEN CUP)167 °C
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 82.8% (410 of 495) of all reports.WarningH315 (16.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 495 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Decanedioic acid, dibutyl esterDecanedioic acid, 1,10-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanedioic acid, 1,10-dibutyl 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)REACH registered substance: Dibutyl sebacate (EC: 203-672-5)Decanedioic acid, dibutyl ester: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
BrandgefahrenCombustible.
GefahrenübersichtSafe when used as a flavoring agent in food[JECFA] Causes somnolence, diarrhea, and abnormal liver function tests in lethal-dose feeding studies of rats[RTECS] May cause skin sensitization[ICSC] Emergency treatment: IrritantsConsidered to be practically non-toxic by oral and dermal exposure[HSDB] Search by CAS# found no article relating to allergic dermatitis[PubMed] A skin irritantNo sensitizing effects known[MSDSonline]
FDA-AnforderungenDibutyl sebacate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Dibutyl sebacate is an indirect food additive for use only as a component of adhesives.
Prior-Sanctioned Food Ingredients: Substances classified as plasticizers, when migrating from food-packaging material shall include: dibutyl sebacate.
EPA Safer ChemicalChemical: Dibutyl sebacate
NFPA Hazard Classification0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and CategoriesSkin Irrit. 2 (16.8%)
Hazardous Reactivities and IncompatibilitiesCombustible liquid when exposed to heat or flamecan react with oxidizing materials.
BrandbekämpfungUse water spray, powder, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Rest.
Sichere LagerungWell closed.
Brandbekämpfungsverfahren...CARBON DIOXIDE, DRY CHEM.
EntsorgungsverfahrenSRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Verschüttetes entsorgenPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Carefully collect remainder. Then store and dispose of according to local regulations.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °Con spraying or dispersing, however, much faster.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSTRICT HYGIENE!
Ingestion PreventionDo not eat, drink, or smoke during work.
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 575(SRC), determined from a water solubility of 40 mg/l(2) and a regression-derived equation(3), indicates that dibutyl sebacate is expected to have low mobility in soil(SRC). Volatilization of dibutyl sebacate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.8X10-8 atm-cu m/mole(SRC), calculated from a vapor pressure of 4.7X10-6 mm Hg(4) and water solubility of 40 mg/l(2). Dibutyl sebacate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Dibutyl sebacate and other plasticizers were readily biodegraded by pure bacterial and fungal cultures(5,6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 575(SRC), determined from a water solubility of 40 mg/l(2) and a regression-derived equation(3), indicates that dibutyl sebacate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected to be an important fate process(3) based upon an estimated Henry's Law constant of 4.8X10-8 atm-cu m/mole(SRC), calculated from a vapor pressure of 4.7X10-6 mm Hg(4) and water solubility of 40 mg/l(2). A base-catalyzed second-order hydrolysis rate constant of 0.05 L/mole-sec(SRC) was estimated using a structure estimation method(5)this corresponds to half-lives of 4.5 years and 166 days at pH values of 7 and 8, respectively(5). Dibutyl sebacate and other plasticizers were readily biodegraded by pure bacterial and fungal cultures(6,7). According to a classification scheme(8),an estimated BCF of 77(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dibutyl sebacate, which has a vapor pressure of 4.7X10-6 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase dibutyl sebacate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 21 hours(SRC), calculated from its estimated rate constant of 1.8X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Particulate-phase dibutyl sebacate may be removed from the air by wet and dry deposition(SRC). Dibutyl sebacate may also undergo direct photolysis in the environment since this compound contains functional groups that can absorb light greater than 290 nm(4).
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
ToxizitätsübersichtSafe 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
Soil Adsorption/MobilityThe Koc of dibutyl sebacate is estimated as 575(SRC), using a water solubility of 40 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibutyl sebacate is expected to have low mobility in soil(SRC).
Natural Pollution SourcesNOT REPORTED FOUND IN NATURE.
Artificial Pollution SourcesDibutyl sebacate's production and use as a plasticizer, rubber softener, flavoring agent and cosmetic and perfume ingredient(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationDibutyl sebacate was degraded by pure bacterial and fungal cultures over 1 to 4 week incubation periods in shake flask experiments(1). Pure strains of the fungus Fusarium were shown to degrade dibutyl sebacate and several other plasticizers(2).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Environmental BioconcentrationAn estimated BCF of 77 was calculated for dibutyl sebacate(SRC), using a water solubility of 40 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilThe Henry's Law constant for dibutyl sebacate is estimated as 4.8X10-8 atm-cu m/mole(SRC) from its vapor pressure, 4.7X10-6 mm Hg(1), and water solubility, 40 mg/l(2). This Henry's Law constant indicates that dibutyl sebacate is expected to be essentially nonvolatile from water surfaces(3). Dibutyl sebacate's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces is not expected to be an important environmental fate process(SRC). Volatilization from dry soil surfaces is not expected to be an important fate process(SRC) based on the vapor pressure of this compound(1).
Non-Human Toxicity Excerpts...In a 2 yr period study, dietary levels of 0.25, 1.25, and 6.25% dibutyl sebacate were fed to rats. The data showed no weight, hematologic, or bone marrow changes, but some isolated inflammatory changes in the lungs, some nephrosis and fatty livers at the highest dose.Toxicologic data indicate that the material is practically nontoxic orally or by dermal contact.ORAL /ACUTE/ TOXICITY. DOSES OF 1-32 G/KG BODY WT WERE ADMIN TO YOUNG RATS 5-10 WK OLD & WEIGHING 60-75 G. ALL DOSES UP TO 16 G/KG WERE TOLERATED... DOSES OF 4-8 G/KG BODY WT WERE ADMIN TO RATS IM WITHOUT PRODUCING ANY OBSERVABLE REACTIONS.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of dibutyl sebacate with photochemically-produced hydroxyl radicals has been estimated as 1.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 21 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.05 L/mole-sec(SRC) was estimated using a structure estimation method(2)this corresponds to half-lives of 4.5 years and 166 days at pH values of 7 and 8, respectively(2). The expected hydrolysis products are butanol and sebacic acid. Dibutyl sebacate may also undergo direct photolysis in the environment since this compound contain a functional group that can absorb light greater than 290 nm(3).