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2-Ethylhexansure
Hexanoic acid, 2-ethyl- · Ethylhexanoic acid · 2-ETHYLCAPROIC ACID · 2-Ethyl-1-hexanoic acid · 2-ethylhexanoic · 2-ETHYLCAPRONIC ACID · (RS)-2-Ethylhexansαure · Ethylhexoic acid
Identifikatoren & physikalische Daten
| CAS No. | 149-57-5 |
|---|---|
| Summenformel | C8H16O2 |
| Durchschnittliche Molmasse | 144,21 g/mol |
| Monoisotopische Masse | 144,11502975 g/mol |
| SMILES | CCCCC(CC)C(=O)O |
| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| PubChem CID | 8697 |
| ChEMBL | CHEMBL1162485 |
| ChEBI | CHEBI:89058 |
| EC No. | 205-743-6 |
| DTXSID | DTXSID9025293 |
| Lokaler Name | 2-Ethylhexansure |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 99,4 |
| Stoffklassen | Other Classes -> Organic AcidsPhthalate |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
| LogP (Verteilungskoeffizient) | log Kow = 2.64 |
| Geruch | Mild odor |
| Dichte | 0.903 (USCG, 1999) - Less dense than waterwill float0.9031 g/cu cm at 25 °CRelative density (water = 1): 0.900.9031 @25 °C0.906 |
| Aromastoffe | EU Flavoring substances |
| Viscosity | 7.8 mPa s |
| Color/Form | Clear liquid |
| Löslichkeit | less than 1 mg/mL at 84 °F (NTP, 1992)Soluble in ethyl ether, carbon tetrachlorideslightly soluble in ethanol.Solubility in water = 1.4 g/L water at 25 °C.In water at 20 °C, 0.2 wt %. /2,000 mg/L/2 mg/mL at 20 °CSolubility in water, g/100ml: 0.14 (very poor)1.4g/l2 g/L (20 ºC) |
| Flammpunkt | 260 °F (NTP, 1992)118 °C114 °C (closed cup)245 °F (118 °C) (OPEN CUP)118 °C o.c.230 °F |
| Siedepunkt | 442 °F at 760 mmHg (NTP, 1992)228 °C220.00 to 223.00 °C. @ 760.00 mm Hg227 °C228 °C @760 [mm Hg]228 °C(lit.) |
| Decomposition | When heated to decomposition, it emits acrid and irritating fumes. |
| Schmelzpunkt | -59 °C |
| Dampfdichte | 4.98 (vs air) |
| Dampfdruck | <0.01 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.425(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:4.895 (25°C) |
| Farbe | Clear |
| pH | 3 (1.4g/l, H2O, 20℃) |
| Geruch | Mild odour |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 1.04%, 135°F |
| BRN | 1750468 |
| Henry-Konstante | 3.5×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases. |
| InChI | 1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)C(O)=O |
| LogP (Verteilungskoeffizient) | 2.7 at 25℃ |
| CAS Datenbank | 149-57-5(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanoic acid, 2-ethyl-(149-57-5) |
| EPA chemische Informationen | 2-Ethylhexanoic acid (149-57-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1895) of reports.DangerH360D (10.4%): May damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1895 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanoic acid, 2-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Hexanoic acid, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl- 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: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14246Ethyl hexanoic acid: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Hexanoic acid, 2-ethyl-: Human health tier II assessment |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | Harmful if swallowed, inhaled or absorbed through skin. Material is extremely destructive to tissues of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx, bronchii, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. (USCG, 1999) |
| Gefahrenübersicht | Corrosive to skin[Quick CPC] High inhalation exposure can cause pulmonary edemaCauses liver changes in feeding studies of rats and mice[HSDB] The TLV is based on teratogenic effects in animal studies. [ACGIH] May cause second-degree skin burns following short-term contactVapors cause severe eye and throat irritation (and possibly eye and lung injury) and are intolerable even at low concentrationsInhalation may cause chemical pneumonitis and pulmonary edema[CHRIS] A mild skin irritantMay cause severe eye and mucous membrane irritation[Alfa Aesar MSDS] |
| Reaktive Gruppe | Acids, Carboxylic |
| EG-Einstufung | Symbol: XnR: 63S: (2)-36/37 |
| Special Reports | BG ChemieToxicological Evaluation No. 275. 2-Ethyl-hexanoic acid (CAS No. 149-57-5). 84 p. (2000) BG Chemie, Heidelberg, Germany. Report available from a search of the BG Chemie website, www.bechemie.de/toxicologicalevaluations as of July 31, 2007. An evaluation of the toxicological information on the subject chemical prepared and reviewed by experts on behalf of BG Chemie.Robust Summaries & Test Plans: Metal CarboxylatesRevised Summaries (September 22, 2004) Appendix 1.0. Robust Summaries and SIDS Dossier for 2-Eethvlhexanoic acid. Describes information submitted to the U.S. EPA by industry participating in the HPV Challenge Program.European Chemicals BureauIUCLID Dataset, 2-Ethylhexanoic acid (149-57-5) (2000 CD-ROM edition). Describes information on usage patterns, ecotoxicity and toxicity supplied to the European Union by industry. |
| TSCA-Anforderungen | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 2-Ethylhexanoic acid is included on this list. |
| Reactivity Profile | ETHYLHEXOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactionslike other acids, they often catalyze (increase the rate of) chemical reactions. |
| Chemical Dangers | The substance is a strong reducing agent. It reacts violently with oxidants. Decomposes on heating. This produces irritating fumes. |
| Flammable Limits | Lower flammable limit: 0.8% by volumeUpper flammable limit: 6.0% by volume |
| Brandbekämpfung | Use water spray, powder, foam, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Sichere Lagerung | Separated from strong oxidants. Store in an area without drain or sewer access. |
| Brandbekämpfungsverfahren | Combustible. Water may be ineffective on fire. Wear self-contained breathing apparatus and protective clothing. Extinguish with dry chemical, alcohol foam, or carbon dioxide. |
| Lagerbedingungen | Separated from strong oxidants. Store in an area without drain or sewer access. |
| Reinigungsverfahren | Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Do NOT absorb in saw-dust or other combustible absorbents. Do NOT let this chemical enter the environment. |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Do NOT absorb in saw-dust or other combustible absorbents. Then store and dispose of according to local regulations. |
| Preventive Measures | SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Ökotoxizitätswerte | LC50 Lepomis gibbosus /(Pumpkinseed sunfish)/ 270 mg/L/ 48 hrstaticLC50 /Oncorrhynchus mykiss (Rainbow trout)/ 180 mg/L/96 hrSpecies: Xenopus laevis (African clawed toad, embryo)Conditions: freshwater, renewal, pH 7.0-7.8Concentration: 645500 ug/L for 96 hr (95% confidence interval: 496000-759000 ug/L) /> or =98% purity/LC50 Pimephales promelas (Fathead minnow, adult) 70 mg/L/96 hrstatic, pH 5.3-5.5For more Ecotoxicity Values (Complete) data for 2-ETHYLHEXANOIC ACID (6 total), please visit the HSDB record page. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 650(SRC), determined from a log Kow of 2.64(2) and a regression-derived equation(3), indicates that 2-ethylhexanoic acid is expected to have low mobility in soil(SRC). The estimated pKa of 2-ethylhexanoic acid is 4.70(4), indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of 2-ethylhexanoic acid from moist soil surfaces is expected to be a slow fate process(SRC) given an estimated Henry's Law constant of 2.8X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 0.03 mm Hg(6), and water solubility, 2,000 mg/L(7). 2-Ethylhexanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(6). A biodegradation half-life of approximately 5 days when incubated in river sediment(8) suggests that biodegradation may be an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 650(SRC), determined from a log Kow of 2.64(2) and a regression-derived equation(3), indicates that 2-ethylhexanoic acid is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.8X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4), derived from its vapor pressure, 0.03 mm Hg(5), and water solubility, 2,000 mg/L(6). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 15 and 120 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A biodegradation half-life of approximately 5 days when incubated in river sediment(9) suggests that biodegradation may be an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-ethylhexanoic acid, which has a vapor pressure of 0.03 mm Hg at 20 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-ethylhexanoic acid 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 2 days(SRC), calculated from its rate constant of 8.2X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2-Ethylhexanoic acid does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Lebensmitteluntersuchungswerte | After simultaneous distillation-extraction (SDE) of commercial baby foods (n = 20) and fruit juices (n = 15) (among them 15 and eight products labelled 'organic', respectively) from 11 different suppliers, analyses performed by coupled capillary gas chromatography-mass spectrometry (GC-MS) revealed the presence of 2-ethylhexanoic acid (2-EHA), a known teratogenic compound. 2-EHA was found in 80 and 73% of the baby foods and fruit juices, respectively. Amounts ranged from 0.25 to 3.2 mg kg(-1)(average, 0.55 mg kg(-1)) and from 0.01 to 0.59 mg L(-1) (average, 0.18 mg L(-1)) in baby foods and fruit juices, respectively. GC-MS analysis of the SDE extracts obtained from the plastic gaskets inside the metal lids of the samples under study revealed the gaskets to be the origin of 2-EHA.2-Ethylhexanoic acid was identified as a volatile component in raw beefthe compound may not be representative of raw beef but rather more akin to products produced in cooked fat(1). |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion. |
| Ökotoxizitätsauszüge | /AQUATIC SPECIES/ Earlier work with pure cultures had shown that the interaction of microbes with plasticizers leads to the formation of metabolites including 2-ethylhexanoic acid and 2-ethylhexanol that resist further degradation. The presence of these metabolites is now reported in a variety of environmental samples. Thus, even in a complex ecosystem, when plasticizers are degraded, the breakdown is not complete and significant amounts of 2-ethylhexanoic acid and 2-ethylhexanol are observed. These compounds have been shown to exhibit acute toxicity using Microtox, Daphnia, rainbow trout and fathead minnow toxicity assays. Since it is already well established that plasticizers are ubiquitous in the environment, it is expected that their recalcitrant metabolites will also be ubiquitous. This is of concern because, while the plasticizers do not exhibit acute toxicity, their metabolites do. |
| Signs and Symptoms | Cough.Redness.Redness. Pain.Abdominal pain. Burning sensation. Diarrhoea. |
| Effluent Concentrations | 2-Ethylhexanoic acid was detected in groundwater from a landfill well near Norman, OK at an estimated concn of 4.2 ug/L(1). 2-Ethylhexanoic acid was identified as a volatile compound emitted from bonded urethane carpet cushions(2). 2-Ethylhexanoic acid was identified as a byproduct of chlorine dioxide disinfection of drinking water at a pilot plant in Evansville, IN(3). Leachate samples collected from a Swedish municipal landfill in May 1990 contained 2-ethylhexanoic acid at an unreported concn(4). Water samples from several sampling stations in the "Valley of the Drums" near Louisville, KY were found to contain ethyl hexanoic acid(5). Groundwater samples collected near an area known to be contaminated by wood-preserving chemicals in Pensacola, FL contained 2-ethylhexanoic acid at concns of 0.17, 5.79, and 1.44 mg/L 6.1, 3.3, and 5.8 m below the surface, respectively(6). 2-Ethylhexanoic acid was identified in trench leachate from low-level radioactive waste disposal sites in Maxey Flats, KY and West Valley, NY at an average concn of 5.9 and 140 mg/L, respectively(7). 2-Ethylhexanoic acid was detected in the leachate of a sanitary landfill located in Barcelona, Spain at an unreported concn(8). 2-Ethylhexanoic acid was detected in emissions from a municipal waste incineration plant at a concn of 0.60 ug/cu m(9).2-Ethylhexanoic acid has been identified in municipal landfill leachate samples from Gryta, Vasteras, Sweden, sampled in May, 1990the compounds was detected not quantified in 1 of 3 samples(1). The possible origins were identified as detergents and as a hydrolysis product of phthalates(1). The compound was present at a concentration of 155 ug/L in leachate from a landfill for municipal wastes in Japan(2). |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| Soil Adsorption/Mobility | The Koc of 2-ethylhexanoic acid is estimated as 650(SRC), using a log Kow of 2.64(1)((1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-ethylhexanoic acid is expected to have low mobility in soil. The estimated pKa of 2-ethylhexanoic acid is 4.70(4), indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). |
| TSCA Test Submissions | 2-Ethylhexanoic acid (CAS # 149-57-5) was evaluated for corrosive dermal irritation under exposure conditions prescribed in adjunctive dermal pharmacokinetic study. Four groups of 2 female Fischer 344 rats were exposed with undiluted injections of approximately 1 g/kg through an occluded containment device (2 x 2 cm exposure area) attached to shaved dorsal skin. A pair of treated rats and one of four control rats, similarly attired without treatment, were sacrificed at 24, 48, 72, and 96 hours post-injection for gross and microscopic assessments of dermal corrosion. Gross changes associated with treatment were minimal at 96-hour final necropsy. A white powdery deposit on treated skin and one incidence of focal (2 mm diameter) erythema were observed in the 2 treated rats. Histopathological review, however, revealed a profound dermal response at 24 hours, characterized by necrosis with inflammation of underlying dermal and hypodermis indicative of a breakdown of epidermal integrity. Serial examinations revealed healing by regeneration of necrotic areas from adjacent, less damaged areas' increasing thickness at 48 hours, and a progressive reversal of epidermal thickening at 72 and 96 hours. At 48 hours, acanthosis and keratosis were apparent in most samples, as were prominent keratohyalin granules and parakeratosis. Mitotic figures gave testimony to regeneration from basal layer cells. The study authors offered the lack of residual test substance in the containment device at 24 hours with subsequent amelioration of dermal corrosion as evidence of rapid (24 hour) dermal absorption of 2-ethylhexanoic acid.2-Ethylhexanoic acid was evaluated for corrosive dermal irritation under exposure conditions prescribed in adjunctive dermal pharmacokinetics study. Four groups of 2 female Fischer 344 rats were exposed with undiluted injections of approximately 1 g/kg through an occluded containment device (2 x 2 cm exposure area) attached to shaved dorsal skin. A pair of treated rats and one of four control rats, similarly attired without treatment, were sacrificed at 24, 48, 72, and 96 hours post-injection for gross and microscopic assessments of dermal corrosion. Gross changes associated with treatment were minimal at 96-hour final necropsy. Histopathological review, however, revealed a profound dermal response at 24 hours, characterized by necrosis with inflammation of underlying dermal and hypodermis indicative of a breakdown of epidermal integrity. Serial examinations revealed healing by regeneration of necrotic areas from adjacent, less damaged areas' increasing thickness at 48 hours, and a progressive reversal of epidermal thickening at 72 and 96 hours. At 48 hours, acanthosis and keratosis were apparent in most samples, as were prominent keratohyalin granules and parakeratosis. Mitotic figures gave testimony to regeneration from basal layer cells. The study authors offered the lack of residual test substance in the containment device at 24 hours with subsequent amelioration of dermal corrosion as evidence of rapid (24 hour) dermal absorption of 2- ethylhexanoic acid.2-Ethylhexanoic acid (2-EHA) was evaluated for toxicity in female Fischer 344 rats (4/dose group) administered single measured doses of 0 (vehicle control), 90, 722, 1445, or 2890 mg 2-EHA/kg bw/day by gavage in corn oil. Animals were observed for 14 days after dosing, then sacrificed. All rats treated with 2890 mg/kg died on day 1. The cause of death was not determined. The remaining rats survived the observation period. Rats given 722 mg/kg or higher exhibited weakness on the day of dosing. Weight loss was observed (14/16) during the first 24 hours after dosing, but by day 7, all had regained and exceeded their original weight. Absolute and relative liver (only organ examined) weight of the surviving rats did not differ from controls. An histopathological examination was not conducted. An LD50 of 2043 mg/kg bw/day was calculated.Acute dermal toxicity was evaluated in 4 rabbits (sex and strain not reported) receiving single occluded applications of 2-ethylhexanoic acid as a 40% solution in DMSO at a dose level of 6.4 g/kg of body weight. Mortality was observed in 1 animalthe LD50 value was reported to be 6.4 g/kg. Clinical observations were not reported. Gross necropsy revealed extensive autolysis.For more TSCA Test Submissions (Complete) data for 2-ETHYLHEXANOIC ACID (8 total), please visit the HSDB record page. |
| Atmospheric Concentrations | URBAN/SUBURBAN: 2-Ethylhexanoic acid was identified but not quantitated in air samples collected along the Niagara River in Sept 1982(1). |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | MO7700000 |
| R-Sätze (R) | 63-41-37/38-20/21/22 |
| Toxizität | LD50 orally in Rabbit: 3640 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-36/37/39-26-2 |
| Gefahrenklasse | 8Repr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 149-57-5(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 699 °F |
Anwendungen & Verwendung
Verwenden
2-Ethylhexanoic acid is used in the preparation of metal derivatives, which act as a catalyst in polymerization reactions. For example, tin 2-ethylhexanoate is used in the manufacturing of poly(lactic-co-glycolic acid). It is also used as a stabilizer for polyvinyl chlorides. It is also involved in solvent extraction and dye granulation. Further, it is used to prepare plasticizers, lubricants, detergents, flotation aids, corrosion inhibitors and alkyd resins. In addition to this, it serves as a catalyst for polyurethane foaming.
Herstellung & Synthese
synthetische
In a dry 1L three-neck bottle, Add isooctyl aldehyde (80g, 0.62mol) And the solvent 2-ethylhexanoic acid (240g, 1.66mol), ligand L8 (5.24mg, 0.007mmol), cesium carbonate (18.24mg, 0.056mmol), potassium acetate 160mg, placed in a water bath, mechanical under nitrogen atmosphere Stir, after the temperature rises to 30 ° C, Air flow was started at a flow rate of 11.9 g/h, and the reaction temperature was maintained at 30-35 ° C by adding cooling water to the water bath. After 6 hours of reaction, the conversion of isooctyl aldehyde was calculated to be 99.6%. The selectivity of 2-ethylhexanoic acid was 99.5%, and the yield was 99.10%.