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Nonansure
NONANE · PELARGONIC ACID · nonanoic · pelargonic · NONOIC ACID · N-NONANOIC ACID · Pelargic acid · 1-nonanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 112-05-0 |
|---|---|
| Summenformel | C9H18O2 |
| Durchschnittliche Molmasse | 158,24 g/mol |
| Monoisotopische Masse | 158,13067982 g/mol |
| SMILES | CCCCCCCCC(=O)O |
| InChIKey | FBUKVWPVBMHYJY-UHFFFAOYSA-N |
| PubChem CID | 8158 |
| ChEBI | CHEBI:29019 |
| EC No. | 203-931-2 |
| DTXSID | DTXSID3021641 |
| Lokaler Name | Nonansure |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 99,7 |
| Stoffklassen | Other Classes -> Organic Acids |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101] |
| Kosmetika | Cosmetic ingredients (Pelargonic Acid) -> CIR (Cosmetic Ingredient Review)Solvent |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Nonanoic acid) -> IFRA transparency List |
| Pestizide | Acaricides, Herbicides, Insecticides, Plant Growth RegulatorsActive substance -> EU Pesticides database: ApprovedHerbicides, Insecticides, Other substances, Repellents, Adjuvants, Fungicides |
| LogP (Verteilungskoeffizient) | log Kow = 3.42 |
| Geruch | FATTY ODORCOCONUT AROMASlight odor |
| Geschmack | UNPLEASANT TASTEEXCELLENT COCONUT TASTE |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.9052 g/cu cm at 20 °C0.901-0.9060.9055 @ 20°C0.906 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | 9 °C (lit.) |
| Siedepunkt | 268-269 °C (lit.) |
| Dampfdichte | 5.5 (vs air) |
| Dampfdruck | <0.1 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.432(lit.) |
| FEMA | 2784 | NONANOIC ACID |
| Flammpunkt | 212 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 0.3g/lNEGLIGIBLE |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.96(at 25℃) |
| Farbe | Clear colorless |
| pH | 4(1 mM solution)3.49(10 mM solution)2.98(100 mM solution) |
| Geruch | at 10.00 % in dipropylene glycol. waxy dirty cheese cultured dairy |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 0.8-9%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.29 J/(g·K), at 25℃ |
| JECFA Number | 102 |
| Merck | 14,7070 |
| BRN | 1752351 |
| Henry-Konstante | 6.1×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielektrizitätskonstante | 13.9(25℃) |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGSURFACTANT - EMULSIFYINGFRAGRANCECLEANSING |
| InChI | 1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey | FBUKVWPVBMHYJY-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC(O)=O |
| LogP (Verteilungskoeffizient) | 3.4 at 25℃ |
| CAS Datenbank | 112-05-0(CAS DataBase Reference) |
| NIST chemische Informationen | Nonanoic acid(112-05-0) |
| EPA chemische Informationen | Nonanoic acid (112-05-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)DangerH314 (87.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Nonanoic acidCommission Regulation No 844/2012Nonanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nonanoic acid 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)2008/127, Reg. (EU) 1446/2023, Reg. (EU) 2017/195, Reg. (EU) 2020/1160, Reg. (EU) 2021/745, Reg. (EU) 2024/1280, Reg. (EU) 2024/2221, Reg. (EU) No 540/2011Status: Active Update: 10-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13098Nonanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Nonanoic acid: Environment tier I assessment |
| Brandpotenzial | Combustible |
| Gefahrenübersicht | Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposurestoxicity in repeated-dose studies only at relatively high levelsno evidence of reproductive toxicity, developmental toxicity, or mutagenicity[EPA ChAMP: Hazard Characterization] Highly irritating[Merck Index] A strong skin irritant[Hawley] A skin and eye irritant[HSDB] May cause permanent eye damage, including blindness[CHEMINFO] Safe when used as a flavoring agent in food[JECFA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract[MSDSonline] |
| FDA-Anforderungen | Nonanoic acid 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. |
| Special Reports | European Chemicals BureauIUCLID Dataset, Nonanoic acid (CAS # 112-05-0) (2000 CD-ROM edition). Available from the Database Query page at: http://ecb.jrc.it/esis/esis.php as of January 18, 2008.USEPA/HPVISSCREENING-LEVEL HAZARD CHARACTERIZATION: C7 to C9 Aliphatic Aldehydes and Carboxylic Acids Category (August 2007) Available from http://www.epa.gov/hpvis/hazchar/Category_C7-C9%20Aliphatic%20Aldehydes%20&%20Carboxylic%20Acids_HC_August%202007.pdf as of January 16, 2008. |
| EPA Safer Chemical | Chemical: Nonanoic acid |
| FIFRA-Anforderungen | New Active Ingredients ... includes pesticide active ingredients initially registered after November 1, 1984, that currently have active product registrations. By law, these newer pesticides are not subject to the reregistration program. They must, however, meet the new safety standard of the FQPA, and will be reviewed on a 15-year cycle under the registration review program. ... ???Chemical ingredient??? is included on this list. Active Ingredient Number: 217500Type of Pesticide: Biological-Herbicide, Plant regulatorUse Site: food use, ornamentals, turf, non-food areasYear: 92. |
| Hazard Classes and Categories | Skin Corr. 1C (87.4%)Skin irritation - category 2Skin corrosion/irritation - Category 2Skin Irrit. 2 |
| Explosive Limits and Potential | Combustible |
| Skin, Eye, and Respiratory Irritations | Pelargonic acid is a skin and eye irritant.Causes substantial but temporary eye injury. Causes skin irritation. ... /Scythe herbicide (57% pelargonic acid)/ |
| Lagerbedingungen | Do not contaminate water, food, or feed by storage... . Keep conatiner tightly sealed when not in use. Store only in original container in a dry place inaccessible to children and pets. /Scythe herbicide (57% pelargonic acid)/ |
| 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.Do not contaminate water, food, or feed by ... disposal. ... Pesticide disposal:: Wastes resulting from the use of this product must be disposed of on site or at an approved waste disposal facility. Container disposal: Do not reuse empty container. Triple rinse, then offer for recycling or reconditioning, or puncture and dispose of in a sanitary landfill or by incineration, or if allowed by state and local authorities, by burning. If burned, stay out of smoke. /Scythe herbicide (57% pelargonic acid)/ |
| 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.SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.Agricultural Use Requirements: Use this product only in accordance with its labeling and with the Worker Protection Standard... . Do not enter or allow worker entry into treated areas during the restricted entry interval (REI) of 12 hours. ./Scythe herbicide (57% pelargonic acid)/Do not get in eyes, on skin or on clothing. Avoid breathing spray mist. Wash thoroughly with soap and water after handling. Pemove contaminated clothing and wash clothing before reuse. /Scythe herbicide (57% pelargonic acid)/For more Preventive Measures (Complete) data for NONANOIC ACID (8 total), please visit the HSDB record page. |
| Allowable Tolerances | Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. ... (b) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Dairy processing equipment, and food-processing equipment and utensils. Nonanoic acid is included on this list. Limit: when ready for use, the end-use concentration is not t exceed 90 ppm.Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. ... (c) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Food-processing equipment and utensils. Nonanoic acid is included on this list. Limit: when ready for use, the end-use concentration is not to exceed 90 ppm. |
| Protective Action Criteria (PAC) | 15 [mg/m3]170 [mg/m3]990 [mg/m3] |
| Personal Protective Equipment (PPE) | Worker Protection Standard (WPS) Uses: Some materials that are chemical-resistant to this product are listed below. If you want more options, follow the instructions for category E on an EPA chemical resistance category selection chart. Applicators and other handlers who handle this pesticide for any use covered by the WPS ... must wear: Coveralls worn over short-sleeved shirt and short pantschemical-resistant gloves such as barrier laminate, nitrile rubber, or neoprene rubberchemical-resistant footwear plus socksprotective eyewear (goggles, face shield or safety glasses) /Scythe herbicide (57% pelargonic acid)/Agricultural Use Requirements: Personal protective equipment required for early entry to treated areas that is permitted under the Worker Protection Standard and that involves contact with anything that has been treated, such as plants, soil, or water, include: Coveralls worn over short-sleeved shirt and short pantsprotective eyewear (goggles, face shield or safety glasses... /Scythe herbicide (57% pelargonic acid)/Non-WPS Uses: Applicators and other handlers who handle this pesticide for any use not covered by the Worker Protection Standard ... must wear: Long-sleeved shirt and long pants |
| Wechselwirkungen | Skin reactions to 40% nonanoic acid in propanol (NON) ... were evaluated by image analysis of 20 MHz B scan recordings (Dermascan C, Cortex Technology). 18 women, aged 18 to 45, were patch tested with 24-hr application time, and clinical and instrumental evaluations were performed at the beginning of the experiment, and 24 and 48 hr after patch testing. To check possible regional variations ... /NON/ was applied 2 x on the same forearm. As control tests, saline solution, propanol and sodium lauryl sulfate (SLS) 3% were applied. Echographic images were processed by a program enabling numerical representation of picture data, based on attribution of fictional values to the echoes' amplitudes, selection of amplitude bands of interest, binary transformation of the image, and calculation of the extension of areas reflecting within the same amplitude range. Sonographic recordings were evaluated by an amplitude interval marking hyporeflecting parts of the dermis (corresponding to edema and inflammatory infiltration), and by a band highlighting the entrance echo (epidermis) ... Evaluations showed that extension of the hypoechogenic area of the dermis increases according to intensity of inflammatory reaction for all irritant substances. A clear decrease in reflectivity of the epidermis echo at 24 hr was visible at SLS patch test test sites, whereas at patch test sites performed with NON ... there was a trend towards an increase in values of hyperreflecting pixels. No significant variations between data recorded at proximal compared to distal skin sites were observed ... /40% Nonanoic acid in propanol/ |
| Ökotoxizitätswerte | LC50 Anas platyrhynchos (Mallard duck, juvenile) diet >5620 ppm for 8 daysLC50 Colinus virginianus (Northern bobwhite, juvenile) diet >5620 ppm for 8 daysLD50 Colinus virginianus (Northern bobwhite, adult) oral >2250 mg/kg for 14 daysLD50 Apis mellifera (Honey bee, worker) topical >25 ug/bee for 48 hrFor more Ecotoxicity Values (Complete) data for NONANOIC ACID (12 total), please visit the HSDB record page. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,700 for the free acid(SRC), determined from a log Kow of 3.42(2) and a regression-derived equation(3), indicates that undissociated nonanoic acid is expected to have low mobility in soil(SRC). The pKa of nonanoic acid is 4.95(4), indicating that this compound will exist almost entirely in 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 nonanoic acid from moist soil surfaces is not expected to be an important fate process(SRC) given the pKa. Nonanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65X10-3 mm Hg(6). Biodegradation studies of nonanoic acid show a total organic carbon removal ratio of 99% using a non-acclimated activated sludge(7), and a BOD of 0.59 (g/g) after 5 days incubation using a sewage inoculum(8), suggesting biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,700 for the free acid(SRC), determined from a log Kow of 3.42(2) and a regression-derived equation(3), indicates that undissociated nonanoic acid is expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.95(4) indicates nonanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation studies of nonanoic acid show a total organic carbon removal ratio of 99% using a non-acclimated activated sludge(8), and a BOD of 0.59 (g/g) after 5 days incubation using a sewage inoculum(9), suggesting biodegradation is 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), nonanoic acid, which has a vapor pressure of 1.65X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase nonanoic 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 1.6 days(SRC), calculated from its rate constant of 9.8X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Nonanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4). |
| Lebensmitteluntersuchungswerte | Nonanoic acid was identified as a volatile component of raw beef(1). Nonanoic acid has been identified as a volatile flavor component of mutton and beef(2). Aerosol emission rates of nonanoic acid from frying hamburger meat was 10.2 mg/kg of meat cookedemission rates from charbroiling hamburger was 30.6 mg/kg of meat cooked for extra lean hamburger (approx. 10.0% fat) and 47.1 mg/kg of meat cooked for regular hamburger (approx. 21% fat)(3). Nonanoic acid was found in popcorn using wet extraction method at 29 ug/kg(4). Nonanoic acid was detected, not quantified as a volatile component of raw and roasted earth-almond (Cyperus esculentus L.)(5). Nonanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 42,400 and 6,030 ug/kg meat cooked, respectively(6). |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxizitätsübersicht | Safe 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 |
| Average Daily Intake | Fatty acids are an important part of the normal daily diet of mammals, birds and invertebrates.Annual consumption is 1200.00 lb. Individual consumption is 0.001016 mg/kg/day. |
| Ökotoxizitätsauszüge | /AQUATIC SPECIES/ PELARGONIC ACID INHIBITED CLEAVAGE OF HEMICENTROTUS PULCHERRIMUS EGGS AT A CONCN OF 200 PPM./OTHER TERRESTRIAL SPECIES/ Pelargonic acid inhibited pollen germination and pollen tube elongation in Camellia sinensis (tea plant)./PLANTS/ PELARGONIC ACID INHIBITED POLLEN GERMINATION (AVG GERMINATION 0-1.1%) AND POLLEN TUBE ELONGATION (AVG TUBE LENGTH 0-0.2 NM) IN CAMELLIA SINENSIS AND MITOTIC DIVISION OF GENERATIVE NUCLEUS IN ORNITHOGALUM VIRENS (AVG MITOSIS 0-40.6%). |
| Plant Concentrations | Nonanoic acid was identified as a volatile constituent of the kiwi fruit flower(1). Nonanoic acid was found in fine particulate matter released (by resuspension and agitation of the leaf composites) from green and dead plant leaves at concns of 444.7 and 596.8 ug/g, respectively(2). Nonanoic acid was found as a volatile component of raw earth-almond (Cyperus esculentus L.)(3). |
| Effluent Concentrations | Nonanoic acid was detected in aqueous industrial effluent extracts collected between Nov 1979-81 in the following industrial categories (concentration in one effluent extract): ore mining (12 ng/uL)auto and other laundries (34 ng/uL)porcelain/enameling (28 ng/uL)electronics (3084 ng/uL)mechanical products (1954 ng/uL)and publicly owned treatment works at an unknown concn(1). Nonanoic acid was identified in the acidic fraction of sewage and sludge from the Iona Island Sewage Treatment Plant, British Columbia(2). The acidic fraction of oil shale retort water from the Kerosene Creek seam of the Rundle deposit, Queensland, Australia, was found to contain nonanoic acid at a concn of 200 mg/L(3). A grab sample, obtained in April 1980, of the final effluent from the Addison, IL Publicly Owned Treatment Works was found to contain nonanoic acid at an unreported concn(4). Groundwater samples contaminated by industrial pollution near Barcelona, Spain were found to contain nonanoic acid at concns ranging from <5 to 75 ng/L(5). Nonanoic acid was detected in trench leachate from a low-level radioactive waste disposal site in West Valley, NY at an average concn of 4.5 mg/L(6). Nonanoic acid was detected in process retort water from the Occidental Oil Shale, Inc facility in Logan Wash, CO at a concn of 81 mg/L(7). Nonanoic acid was detected in: process water from in situ coal gasification in Gillette, WY at a concn of 5 ppmretort water from in situ oil shale processing in Rock Springs, WY at a concn of 493 ppmand boiler blowdown water from in situ shale oil processing in DeBeque, CO at a concn of 132 ppm(8). Nonanoic acid was detected in emissions from a municipal waste incineration plant at an unspecified concn(9).Nonanoic acid was emitted from medium duty diesel trucks at 240 ug/km(1). Nonanoic acid was measured in the emissions of gasoline powered motor vehicles at a rate of 27.9 ug/km and 80.6 ug/km for catalyst equipped engines and non-catalyst equipped engines(2). Fine aerosol emission rates of nonanoic acid from heavy-duty diesel trucks, noncatalyst-equipped, and catalyst-equipped automobiles were 146.9, 8.6, and 196.2 ug/km, respectively(3). Nonanoic acid was detected in road dust particles collected from paved streets in a residential area of Pasadena, CA in May 1988 at a concn of 135.4 ug/g of particle samplebrake lining particles at a concn of 87.4 ug/g of particle sampleand tire wear particles at a concn of 90.9 ug/g of particle sample(4). Nonanoic acid was detected in exhaust from a gasoline engine at a concn of 0.052 ppb(5).Nonanoic acid was identified as a fine particle released from a natural gas-fired space heater and water heateremission rates were 225.2 pg/kJ and 482.6 pg/kJ for the first series of filters and backup filters within the samplers, respectively(1). Nonanoic acid was found in candle smoke from paraffin and beeswax at 0.25 and 0.31 mg/g of organic compounds(2). Nonanoic acid was found in the fine aerosols from boilers burning number 2 distillate fuel oil at a rate of 184.8 pg/kJ (burning at 58% capacity with 6.5% excess oxygen in stack gases) and not detected (burning at 54% capacity with 7.1% excess oxygen in stack gases)(3). Nonanoic acid was not detected in wood smoke from pine, and detected in smoke from oak and synthetic logs at 0.24 and 0.97 mg/kg of wood burnt(4). Nonanoic acid was found at 1312 ug/g from heated roofing tar pot fumes(5). Nonanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 42,400 and 6,030 ug/kg meat cooked, respectively(6). |
| Soil Adsorption/Mobility | The Koc of undissociated nonanoic acid is estimated as 1,700 for the free acid(SRC), using a log Kow of 3.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated nonanoic acid is expected to have low mobility in soil. The pKa of nonanoic acid is 4.95(4), indicating that this compound will exist almost entirely in 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 | Nonanoic acid (CAS # 112-05-0) was evaluated for subchronic dermal toxicity and irritation in New Zealand White rabbits (5/sex/group) exposed to 500 mg/kg/day (25% w/w in mineral oil) for 5 days/week for 2 weeks. Half of the animals (3 males, 2 females) received applications upon abraded skin and half (3 females, 2 males) received applications on intact skin. Applications remained uncovered. An additional control group of 10 rabbits was treated dermally with 2 g/kg/day mineral oil. There were no mortalities throughout treatment or 2-week recovery (4 rabbits). All treated animals showed slight weight losses in the second week and food consumption was diminished in 2nd and 3rd weeks of study. Severe erythema, slight to severe edema characterized signs of irritation at the sites of application with necrosis and eschar appearing in all animals in the second week. Atonia, desquamation, fissuring and exfoliation of eschar tissue were noted as well. Treatment-related weight loss and signs of dermal irritation resolved in animals held for 2-week recovery. Upon necropsy of 6 animals (3/abraded and 3/intact) at 2 weeks, no treatment- related gross pathology was identified other than morphological changes of treated dermis. Microscopic examination revealed generally localized necrosis accompanied by epidermal hyperplasia, hyperkeratosis, and occasional diffuse and perifollicular dermal inflammation at both abraded and intact application sites. Treated rabbits held for recovery was reepithelialized and continuous with normal follicular structure and population, and with persisting mild to moderate epidermal hyperplasia and hyperkeratosis. Microscopic examination of select visceral organs from 6 rabbits at 2 weeks and 4 recovered rabbits at 4 weeks failed to expose a systemic effect of treatment.Nonanoic acid (CAS # 112-05-0) was evaluated for developmental and maternal toxicity in 22 pregnant Crl:COBS, CDBR rats administered doses of 1500 mg/kg bw by oral intubation on gestational days 6 through 15. A control group of 22 female rats received gavage doses of corn oil (vehicle). On Day 20, all rats were sacrificed for Caesarian delivery and determination of fetal/embryotoxicity and teratogenic effects, as well as fertility indices and maternal toxicity. No excess mortality, retarded bodyweight gains, decreased food consumption or other clinical signs of maternal toxicity were observed relative to control. Likewise, gross pathology upon terminal sacrifice identified no treatment-related effects in the pregnant dams. Pregnancy rates, mean number of corpora lutea, implantations, and mean implantation efficiency (implantations per corpora lutea) were comparable to controls, as were gravid and nongravid uterine weights, and mean ovarian, uterine, and litter data. Embryotoxic effects (number of resorptions, number of fetuses, fetal viability, mean fetal bodyweight, mean fetal length) were not observed. Gross pathology and skeletal examinations produced no statistically significant evidence of fetotoxicity or teratogenicity in a viable fetal population similar to that in the control group. Of 80 fetuses from 22 litters of the treated rats, there were 2 instances of cleft palate, 2 fetuses with small tongue, and a single incidence hydroureter that were not seen in control fetuses. Skeletal anomalies were likewise not statistically linked to treatment and the number of variant fetuses (2) were equal to variant controls. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29159080 |
| RTECS-Nr. | RA6650000 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 i.v. in mice: 224±4.6 mg/kg (Or, Wretlind) |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-28A |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 112-05-0(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 405 °C |
Anwendungen & Verwendung
Beschreibung
Nonanoic acid , also called pelargonic acid, is an organic compound composed of a nine - carbon chain terminating in a carboxylic acid with structural formula CH3(CH2)7COOH. Nonanoic acid forms esters—nonanoates. It is a clear, oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but very soluble in chloroform, ether, and hexane. Its refractive index is 1.4322. Its critical point is at 712 K ( 439 °C ) and 2.35 MPa.
Occurrence
Nonanoic acid is a fatty acid which occurs naturally as esters in the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Nonanoic acid is also used in the preparation of plasticizers and lacquers. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays. The ammonium salt of nonanoic acid, ammonium nonanoate, is used as an herbicide.
Verwenden
The primary uses of this acid are in organic synthesis and in the manufacture of lacquers, plastics, pharmaceuticals, synthetic odors and flavorings, gasoline additives, flotation agents, lubricants, and vinyl plasticizers. Nonanoic acid has found some use in pharmaceutical preparations and as a topical bactericide and fungicide. It is also used in herbicides.
Herstellung & Synthese
synthetische
Nonanoic acid is produced by malonic ester synthesis, from Heptyl iodide.