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HCID 8113作成日:2026年10月24日

Diethanolamine

https://huagongshe.com/ja/chemical/8113

Diethanolamine の分子構造式

識別子と物理属性

CAS No.111-42-2
分子式C4H11NO2
平均分子量105.14 g/mol
単同位体質量105.07897859 g/mol
SMILESOCCNCCO
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-N
PubChem CID8113
ChEMBLCHEMBL119604
ChEBICHEBI:28123
EC No.203-868-0
DTXSIDDTXSID3021932

化学・物理的性質

XLogP-1.4
極性表面積52.5
水素結合供与体数3
水素結合受容体数3
回転可能結合数4
重原子数7
形式電荷0
複雑度28.9
物質分類Hazardous Air Pollutants (HAPs)Nitrogen Compounds -> EthanolaminesCorrosives
PFASPFAS -> Other/unspecified
化粧品Cosmetics ingredient -> Buffering/pH AdjustingFragranceCosmetic ingredients (Diethanolamine) -> CIR (Cosmetic Ingredient Review)
pHStrong base. pH of 0.1 N aqueous solution: 11.0
SpringerMaterials PropertiesBoiling point
LogP(分配係数)log Kow= - 1.43-1.43
臭いMild, ammonia-like odorアンモニア臭
密度1.095 at 82.4 °F (USCG, 1999) - Denser than waterwill sink1.0966 at 20 °CRelative density (water = 1): 1.09 (liquid)1.11.0966 @ 20°C1.101.097 g/mL at 25 °C
Viscosity351.9 cP at 30 °C53.85 cP at 60 °C
Color/FormA faintly colored, viscous liquid or deliquescent prismsDeliquescent prisms. Usually offered as a viscous liquidColorless crystals or a syrupy, white liquid (above 82 °F)
溶解度greater than or equal to 100 mg/mL at 57 °F (NTP, 1992)Miscible (1X10+6 mg/L) with water at 20 °CVery soluble in water, ethanolslightly soluble in ethyl ether, benzeneMiscible with methanol. acetone, alcohol, chloroform, glycerin. Solubility at 25 °C in benzene: 4.2%in ether: 0.8%in carbon tetrachloride: <0.1%in heptane: <0.1%. Slightly soluble to insoluble in petroleum ether.1000 mg/mL at 20 °CSolubility in water: very good20 °C で 105 g/l - 完全に溶解
引火点279 °F (NTP, 1992)134 °C (Open cup)342 °F (172 °C) (open cup)134 °C o.c.138 °C
融点28 °C
沸点217 °C
蒸気密度3.63 (vs air)
蒸気圧< 0.01 mm Hg @ 20°C
外観・状態液体
pKa(酸解離定数)14.44±0.10(Predicted)
色無色透明
爆発限界1.60-10.60%

安全性と法規制

GHS 分類DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.5% (17 of 3242) of reports.H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
規制情報Chemical: Ethanol, 2,2'-iminobis-Hazard Traits - CarcinogenicityCardiovascular ToxicityHematotoxicityRespiratory ToxicityEthanol, 2,2'-iminobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-iminobis- 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: 16-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15770Diethanolamine: 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.)
その他の安全情報IMAP assessments - Ethanol, 2,2'-iminobis-: Human health tier III assessment
輸送ラベル(DOT)Class 9
火災危険Special Hazards of Combustion Products: Irritating vapors are generated when heated. (USCG, 1999)Combustible.
火災の可能性Combustile, when exposed to heat or flamecan react with oxidizing materials.
健康有害性Irritation of eyes and skin. Breathing vapors may cause coughing, a smothering sensation, nausea, headache. (USCG, 1999)
有害性の概要Diethanolamine is used in a number of consumer products, such as shampoos, cosmetics, and pharmaceuticals. Limited information is available on the health effects of diethanolamine. Acute (short- term) inhalation exposure to diethanolamine in humans may result in irritation of the nose and throat, and dermal exposure may irritate the skin. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of diethanolamine in humans. Animal studies have reported effects on the liver, kidney, blood, and central nervous system (CNS) from chronic oral exposure to diethanolamine. The National Toxicology Program (NTP) reported an increased incidence of liver and kidney tumors in mice from dermal exposure to diethanolamine. EPA has not classified diethanolamine for carcinogenicity.Liquid causes first degree burns on short exposure[CHRIS] Diethanolamine is a skin irritant. [Quick CPC] Cases of occupational asthma have been reported. [Reference #1] May cause kidney and liver injury[ICSC] Danger of skin sensitization[MAK]
FDA 要件Diethanolamine is an indirect food additive for use only as a component of adhesives.
反応性グループAlcohols and Polyols
EC 分類Symbol: XnR: 22-38-41-48/22S: (2)-26-36/37/39-46
Special ReportsMOREL C ET ALTOXICOLOGICAL CARD. 147. DIETHANOLAMINECAH NOTES DOC (97) 655: (1979). SUMMARY COVERS PHYS & CHEM PROPERTIES OF DIETHANOLAMINE, HAZARDS IN USE, & CURRENT LEGISLATION IN FRANCE AFFECTING IT. RECOMMENDATIONS ARE MADE FOR ITS STORAGE & HANDLING, & MEDICAL TREATMENT IN CASE OF ACCIDENTS.DHHS/NIOSH Screening of Priority Chemicals for Reproductive Hazards. Diethanolamine (CAS No. 111-42-2) (1987), NTIS PB89-139067DHHS/NTPNTP Technical Report on Toxicity Studies of Diethanolamine Administered Topically and in Drinking Water to F344/N Rats and B6C3F1 Mice. Toxicity Rpt Series No. 20 NIH Publication No. 92-3343 (1992)
TSCA 要件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. Diethanolamine is included on this list. Effective date: 4/13/89Sunset date: 6/30/98.
消火Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Use water spray, powder, foam, carbon dioxide.
応急処置措置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 . Rest.
応急処置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.(General first aid procedures)
安全保管Separated from strong oxidants and acids. Dry.
暴露管理・個人防護1.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
消火手順Wear self contained breathing apparatus for fire fighting if necessary.Use water spray, dry chemical, alcohol foam or carbon dioxide fire extinguishing agent. Use water to keep fire-exposed containers cool, to disperse the vapors, to flush spills away from exposure, to dillute spills to nonflammable mixtures and to prevent the spread of fires.If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.
保管条件Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Air sensitive.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/
清掃方法Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas.Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.Environmental considerations: Land spill: Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.For more Cleanup Methods (Complete) data for DIETHANOLAMINE (6 total), please visit the HSDB record page.
非火災時の漏出対応Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
処分方法SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant lifeand conformance with environmental and public health regulations.Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.Contaminated packaging: Dispose of as unused product.PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/For more Disposal Methods (Complete) data for DIETHANOLAMINE (8 total), please visit the HSDB record page.
漏出処分Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Then store and dispose of according to local regulations.
Preventive MeasuresThe worker should immediately wash the skin when it becomes contaminated.Work clothing that becomes wet or significantly contaminated should be removed and replaced.Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.If material not on fire and not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard.For more Preventive Measures (Complete) data for DIETHANOLAMINE (14 total), please visit the HSDB record page.
標的器官Eyes, skin, respiratory system
生態毒性値LC50Species: GoldfishConcentration: 800 mg/L for 24 hr at pH 9.6 /Conditions of bioassay not specified/Concentration: >5000 mg/L for 24 hr at pH 7 /Conditions of bioassay not specified/Species: Xenopus laevis (African Clawed Frog) age 3-4 wkConditions: freshwater, static, 20 °CConcentration: 1174000 ug/L for 48 hr /formulation/EC50Species: Ceriodaphnia dubia (Water Flea) age <24 hr neonateConditions: freshwater, static, 23 °CConcentration: 72920 ug/L for 48 hr (95% confidence interval: 61800-86040 ug/L)Effect: intoxication, immobilization /formulation/For more Ecotoxicity Values (Complete) data for DIETHANOLAMINE (14 total), please visit the HSDB record page.
環境中動態TERRESTRIAL FATE: Based on a classification scheme(1), a reported Koc value of 3.97(2), indicates that diethanolamine is expected to have very high mobility in soil(SRC). The pKa of diethanolamine is 8.96(3), indicating that this compound will exist partially in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of diethanolamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.9X10-11 atm-cu m/mole(SRC), based upon its vapor pressure, 2.8X10-4 mm Hg(5), and water solubility, 1X10+6 mg/L(5) and its pKa(3). Diethanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(5). Diethanolamine is expected to biodegrade in soilhowever, studies show the rate of degradation can vary widely depending on the conditions and acclimation of the soil(6).AQUATIC FATE: Based on a classification scheme(1), a reported Koc value of 3.97(2), indicates that diethanolamine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization of the neutral form from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 3.9X10-11 atm-cu m/mole(SRC), derived from its vapor pressure, 2.8X10-4 mm Hg(4), and water solubility, 1X10+6 mg/L(4). A pKa of 8.96(5) indicates diethanolamine will exist partially in the cation form at pH values of 5 to 9 and, therefore, volatilization from water surfaces of the cation form is not expected to be an important fate process(SRC). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow of -1.43(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Diethanolamine is expected to biodegrade in waterhowever, studies show the rate of degradation can vary widely depending on the conditions and acclimation state(9).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diethanolamine, which has a vapor pressure of 2.8X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diethanolamine 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 4 hours(SRC), calculated from its rate constant of 9.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Diethanolamine 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).
有害作用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.
暴露経路The substance can be absorbed into the body by inhalation of its vapour and by ingestion.inhalation, ingestion, skin and/or eye contact
毒性の概要The CIR Expert Panel concluded that diethanolamine and the 16 related salts listed below are safe in the present practices of use and concentration when formulated to be non-irritating. The Expert Panel cautions that ingredients should not be used in cosmetic products in which N-nitroso compounds can be formed.Safe for use in cosmetics, with qualifications
生態毒性抜粋/AQUATIC SPECIES/ Marine diatoms (Skeletonema costatum, 10,000 cells/mL) were exposed to a series of 5 or more concn of diethanolamine for 5 days (replicated 3 times). At 548.2 mg/L diethanolamine caused a 50% reduction in the number of cells per mL, and 522.8 mg/L caused a 50% reduction in total cell volume. The no observed effect level (NOEL) was 216 mg/L for both cell measurements./AQUATIC SPECIES/ Alkanolamines are surface-active chemicals used in a wide range of industrial, agricultural and pharmaceutical applications and products. Of particular interest is the use of alkanolamines such as diethanolamine (DEA) in the removal of /carbon dioxide/ from natural gas and for /carbon dioxide/ capture following fossil fuel combustion. Despite this widespread use, relatively little is known about the ecotoxicological impacts of these compounds. In an attempt to assess the potential effects of alkanolamines in the marine environment, a key species in the North Atlantic, the planktonic copepod Calanus finmarchicus, was studied for molecular effects following sublethal exposure to DEA. DEA-induced alterations in transcriptome and metabolome profiling were assessed using a suppression subtractive hybridization (SSH) gene library method and high resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR), respectively. Effects were observed on transcription of genes reportedly involved in lipid metabolism, antioxidant systems, metal binding, and amino acid and protein catabolism. These effects were accompanied by altered expression of fatty acid derivates, amino acids (threonine, methionine, glutamine, arginine, alanine and leucine) and cholines (choline, phosphocholine and glycerophosphocholine). Together, SSH and HR-MAS NMR offer complementary screening tools for the assessment of molecular responses of C. finmarchicus to DEA and can be used in the study of other chemicals and organisms. Concentration-response and time-response relationships between DEA exposure and single gene transcription were investigated using quantitative PCR. Specific relationships were found between DEA exposure and the transcription of genes involved in protein catabolism (ubiquitin-specific protease-7), metal ion homeostasis (ferritin) and defence against oxidative stress (gamma-glutamylcysteine synthase, glutathione synthase and Cu/Zn-superoxide dismutase). At the lowest alkanolamine concentration used in these experiments, which corresponded to 0.5% of the LC50 concentration, no transcriptional effects were observed, giving information regarding the lower molecular effect level. Finally, similar transcription patterns were observed for a number of different genes following exposure to DEA, which indicates analogous mechanisms of toxicity and response./AQUATIC SPECIES/ In order to investigate the potential ecotoxicity of diethanolamine (DEA), a battery of model systems was developed. DEA is widely used as a chemical intermediate and as a surface-active agent in cosmetic formulations, pharmaceuticals and agricultural products. DEA was studied using ecotoxicological model systems, representing four trophic levels, with several bioindicators evaluated at different exposure time periods. The battery included bioluminescence inhibition of the bacterium Vibrio fischeri, growth inhibition of the alga Chlorella vulgaris and immobilization of the cladoceran Daphnia magna. Cell morphology, total protein content, neutral red uptake, MTS metabolization, lysosomal function, succinate dehydrogenase activity, G6PDH activity, metallothionein levels and EROD activity were studied in the hepatoma fish cell line PLHC-1, derived from Poeciliopsis lucida. The systems most sensitive to DEA were both D. magna and V. fischeri, followed by C. vulgaris and the fish cell line PLHC-1. The most prominent morphological effect observed in PLHC-1 cultures exposed to DEA was the induction of a marked steatosis, followed by death at high concentrations, in some cases by apoptosis. The main biochemical modification was a nearly three-fold increase in metallothionein levels, followed by the stimulations of lysosomal function and succinate dehydrogenase and G6PDH activities. Judging by the EC(50) values in the assay systems, DEA is not expected to produce acute toxic effects in the aquatic biota. However, chronic and synergistic effects with other chemicals cannot be excluded.
Signs and SymptomsRedness. Pain. Severe deep burns.Abdominal pain. Burning sensation.irritation eyes, skin, nose, throateye burns, corneal necrosisskin burnslacrimation (discharge of tears), cough, sneezing
Ongoing Test StatusEPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assaysSee the data in Chemical Explorer/[USEPAICSS Dashboard ApplicationAvailable from, as of March 28, 2014: http://actor.epa.gov/dashboard/]The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of February 24, 2014: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=111-42-2]
Effluent ConcentrationsDiethanolamine has been quantitatively detected as a volatile compound of lubricating-cooling liquids, used in various processes in machine building and metallurgy, at a concentration range of 0.25-0.40 mg/cu m(1).
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Medical SurveillancePRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/
FIFRA 要件Residues of diethanolamine are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops only. Use: Stabilizer, inhibitor for formulations used before crop emerges from soil.
大気基準Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Diethanolamine is included on this list.
CERCLA 報告数量Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b).
自然発火温度365 °C