Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
다이에틸렌트라이아민
1,4,7-트리아자헵탄 · 2,2-디아미노디에틸아민 · 2,2-이미노비스(에탄아민) · N-(2-아미노에틸)-1,2-에탄디아민 · N-(2-아미노에틸)에틸렌디아민 · 비스(2-아미노에틸)아민 · 비스(베타-아미노에틸)아민 · 1,2-에탄디아민,N-(2-아미노에틸)-
식별자 및 물리적 특성
| CAS No. | 111-40-0 |
|---|---|
| 분자식 | C4H13N3 |
| 평균 분자량 | 103.17 g/mol |
| 단동위원소 질량 | 103.11094742 g/mol |
| SMILES | NCCNCCN |
| InChIKey | RPNUMPOLZDHAAY-UHFFFAOYSA-N |
| PubChem CID | 8111 |
| ChEMBL | CHEMBL303429 |
| ChEBI | CHEBI:30629 |
| EC No. | 203-865-4 |
| DTXSID | DTXSID2025050 |
| 현지명 | 다이에틸렌트라이아민 |
화학 및 물리적 성질
| XLogP | -2.1 |
|---|---|
| 극성 표면적 | 64.1 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 26.1 |
| 물질 분류 | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| pH | STRONGLY ALKALINE>12 (100g/l, H2O, 20℃) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP(분배 계수) | -1.3 |
| 냄새 | AMMONIACAL ODOR... Strong, ammonia-like odor ...강한 암모니아성약하게 암모니아성. |
| 식품 첨가물 | PROCESSING AID -> FDA Substance added to food |
| 밀도 | 0.954 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9586 @ 20 °C/20 °CRelative density (water = 1): 0.960.9586 @ 20°C0.955 g/mL at 25 °C(lit.) |
| Viscosity | 0.0714 POISE @ 20 °C |
| Color/Form | YELLOW LIQUIDColorless liquidColorless to yellow liquid ... [Note: Hygroscopic (i.e., absorbs moisture from the air)]. |
| 용해도 | Very soluble (NTP, 1992)SOL IN ALL PROP IN WATER & ALCINSOL IN ETHERSOL IN PETROLEUM ETHERSOL IN HYDROCARBONSmiscible with water, methanol, acetone, ether, and benzene, but insoluble in heptanewater solubility = 1X10+6 mg/l1000 mg/mL클로로포름, 메탄올(약간)에 용해됨 |
| 인화점 | 215 °F (NTP, 1992)101 °C101.7 °C (Open cup)97 °C c.c., 102 °C o.c.208 °F90 °C |
| 끓는 점 | 405 °F at 760 mmHg (NTP, 1992)207 °C @ 760 MM HG207.00 °C. @ 760.00 mm Hg207 °C @760 [mm Hg]206 °C |
| 녹는점 | -40 °C |
| 증기 밀도 | 3.6 (vs air) |
| 증기압 | 0.08 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.484(lit.) |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | pK1:4.42(+3)pK2:9.21(+2)pK3:10.02(+1) (25°C) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 폭발한계 | 1-10%(V) |
| 용해도 | 혼용 가능 |
| 비열 | Cp(liquid): 2.46 J/(g·K), at 25℃ |
| BRN | 605314 |
| 헨리 상수 | 9.9×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적이지만 공기 중 이산화탄소를 흡수합니다. 강한 산화제, 구리 및 그 합금과 호환되지 않습니다. |
| InChI | 1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 |
| InChIKey | RPNUMPOLZDHAAY-UHFFFAOYSA-N |
| SMILES | NCCNCCN |
| LogP(분배 계수) | -1.58 at 20℃ |
| NIST | 1,2-Ethanediamine, N-(2-aminoethyl)-(111-40-0) |
| EPA | Diethylenetriamine (111-40-0) |
화학적 성질
Diethylenetriamine is a corrosive yellow liquid and a solvent. It has a strong ammonia odor and is prone to absorbing moisture. It can dissolve in water, acetone, benzene, ether, methanol, but is not soluble in n-heptane.
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 3716) of reports.H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: 1,2-Ethanediamine, N-(2-aminoethyl)-1,2-Ethanediamine, N1-(2-aminoethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1-(2-aminoethyl)- 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: 14-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15883Diethylene triamine: HSNO Approval: HSR002966 Approved with controlsThe 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.) |
| 기타 안전 정보 | IMAP assessments - 1,2-Ethanediamine, N-(2-aminoethyl)-: Environment tier I assessment |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Special Hazards of Combustion Products: Irritating vapors are generated when heated. (USCG, 1999)· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 97 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | LOW, WHEN EXPOSED TO HEAT OR FLAME |
| 건강 유해성 | Prolonged breathing of vapors may cause asthma. Liquid burns skin and eyes. A skin rash can form. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 유해성 요약 | Corrosive to skin[Quick CPC] Liquid causes first degree burns on short exposure[CHRIS] DETA can cause severe corneal injuries and sensitization of the skin and respiratory tract. [ACGIH] Allergic contact dermatitis reported in workers using ultrasonic baths, synthetic lubricants, and carbonless copy paper. [Kanerva, p. 1782] Repeated or prolonged contact may cause skin sensitization or asthma. Inhalation may cause pulmonary edema. [ICSC] Prolonged inhalation can cause asthma. [CAMEO] Danger of skin sensitization[MAK] |
| 운송 번호 및 가이드(DOT) | 2079 154 |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| EC 분류 | Symbol: CR: 21/22-34-43S: (1/2)-26-36/37/39-45 |
| TSCA 요건 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.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. Diethylenetriamine is included on this list. |
| Reactivity Profile | DIETHYLENETRIAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| 소화 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 응급 조치 | Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer immediately for medical attention .Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Rest. Refer immediately for medical attention. |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | 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:(General first aid procedures) |
| 안전 보관 | Separated from strong oxidants, acids, organic nitro compounds and food and feedstuffs. Keep in a well-ventilated room. |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 소화 절차 | Use water spray, dry chemical, alcohol foam or carbon dioxide. Discharge is effective for cooling of container, dilution, prevention of spread of the fire.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical.Wear goggles, self-contained breathing apparatus, and rubber overclothing (including gloves). ... Water or foam may cause frothing. |
| 보관 조건 | Protect containers against physical damage. Store in cool, dark, well-ventilated place away from sources of ignition. |
| 정리 방법 | Overspread sufficient sodium bisulfate and sprinkle water. Drain into the sewer with abundant water. |
| 비화재 누출 대응 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 처리 방법 | SRP: 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.Incinerate in admixture with flammable solvent in furnace equipped with afterburner and scrubber. Recommendable method: Incineration. Peer-review: Mix with excess fuel due to low carbon content and high nitrogen content. (Peer-review conclusions of an IRPTC expert consultation (May 1985)) |
| 누출 처리 | Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| 표적 장기 | Eyes, skin, respiratory system |
| 환경 거동 | TERRESTRIAL FATE: If released on land, diethylenetriamine would principally leach into the ground. The only circumstance where biodegradation would be significant is where the microorganisms at the site are well acclimated. Some of the diethylenetriamine may volatilize from the soil surface. (SRC)AQUATIC FATE: The fate of diethylenetriamine released into water is unknown. Volatilization and adsorption to sediment will not be significant loss mechanisms. Biodegradation would not be expected to be significant unless the microorganisms at the site were well acclimated. (SRC)ATMOSPHERIC FATE: Diethylenetriamine emitted to the atmosphere will degrade by reaction with photochemically produced hydroxyl radicals. The estimated half-life for this reaction is 2.7 hr(1,SRC). |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 노출 경로 | The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact |
| Signs and Symptoms | Sore throat. Cough. Burning sensation. Laboured breathing. Symptoms may be delayed.Pain. Serious skin burns.Pain. Severe deep burns. Loss of vision.Burning sensation. Abdominal pain. Shock or collapse.irritation eyes, skin, mucous membrane, upper respiratory systemdermatitis, skin sensitizationeye, skin necrosiscough, dyspnea (breathing difficulty), pulmonary sensitization |
| ICSC Environmental Data | Environmental effects of the substance have been adequately investigated, but no significant effects have been found. |
| Medical Surveillance | /Protect/ from exposure those individuals with allergies and diseases of skin and lungs. |
| Soil Adsorption/Mobility | The Koc for diethylenetriamine estimated from molecular structure is 88(1). Therefore, it would not be expected to adsorb significantly to soil or sediment. According to a suggested classification scheme(2), this estimated Koc suggests that diethylenetriamine would be highly mobile in soil(SRC). |
| TSCA Test Submissions | The mutagenicity of diethylenetriamine (DETA) was evaluated in Salmonella tester strains TA98, TA100, TA1535, TA1537 and TA1538, both in the presence and absence of added metabolic activation by Aroclor-induced rat liver S9 fraction. Based on preliminary bacterial toxicity determinations, DETA, diluted with water, was tested for mutagenicity at concentrations up to 10 ul/plate using the quantitative overlay method. DETA caused a reproducible increase in revertants without activation in bacterial testers strain TA1537 at all concentrations tested ranging from 0.001 - 10 ul/plate and in tester strain TA1538 without activation at 0.01, 1, 5, and 10 ul/plate. No dose related response was obtained. DETA did not cause a reproducible positive response in any of the other bacterial tester strains, either with or without activation, or in strains TA1537 and TA1538 with activation.The mutagenicity of diethylenetriamine (DETA) was evaluated in Salmonella bacterial tester strains TA98, TA100, TA1535, TA1537 and TA1538, and the yeast Saccharomyces cerevisiae tester strain D4, both in the presence and absence of added metabolic activation by Aroclor-induced rat liver S9 fraction. Based on preliminary bacterial toxicity determinations, DETA, diluted with DMSO, was tested for mutagenicity at concentrations up to 10 ul/plate using the agar incorporation method. DETA did not cause a positive response in any of the bacterial or yeast tester strains, either with or without metabolic activation.The ability of diethylenetriamine (DETA) to induce mutations at the HGPRT gene locus in Chinese Hamster Ovary (CHO) cells in vitro was evaluated in the presence and absence of Aroclor-induced rat liver S9 metabolic activation. Based on preliminary toxicity determinations, DETA was tested for mutagenicity at 6 concentrations over the range of 0.0125 - 0.400% (v/v), with cell survival ranging from 80 - 101% without activation and 110 - 135% with activation. There were no significant differences between treated and control cultures with respect to mutation frequencies at any of the concentrations tested, either with or without activation.The effect of diethylenetriamine (high purity grade) was examined in the rat hepatocyte primary culture/DNA repair assay following administration at concentrations ranging from 1x10E-4 to 0.1% (v/v). The test article induced statistically significant (Duncans MR analysis, p <0.05), but non-dose related increases in the amount of radioactive label bound to isolated nuclear DNA at the 1x10E-4 and 3x10E-3 % levels, and an increase in the amount of radioactive label bound to nuclei at the 1x10E-4 level. In a preliminary cytotoxicity test, all cells died when exposed to 0.4% diethylenetriamine.For more TSCA Test Submissions (Complete) data for DIETHYLENETRIAMINE (11 total), please visit the HSDB record page. |
| Human Toxicity Excerpts | Diethylenetriamine is characterized by its capacity to cause severe corneal injury and pulmonary and cutaneous sensitization in humans. Solutions of from 15% to 100% caused lasting corneal damage5% only minor injuryand unless properly controlled, the vapor and liquid cause sensitization of the respiratory tract and skin with relatively high frequency. Pulmonary and cutaneous sensitization occur with relatively high frequency unless adequate measures are taken to control all contacts. ... Little exposure is necessary in some cases to induce a high degree of sensitivity.IT IS A POTENT PRIMARY SKIN IRRITANT, CAUSING EDEMA & SOMETIMES NECROSIS. THE SKIN IRRITATION IS FREQUENTLY COMPLICATED BY A HIGH INCIDENCE OF ALLERGIC SKIN SENSITIZATION. THE MAJORITY OF WORKERS CHRONICALLY EXPOSED TO IT BECOME SENSITIZED.Symptoms: Conjunctivitis, keratitis (inflammation of the cornea), dermatitis, irritation of respiratory tractasthmatic breathing, nausea, vomiting.In addition to being an irritant, the polyamines typified by ... diethylenetriamine ... have been reported to cause dermal and pulmonary sensitization.For more Human Toxicity Excerpts (Complete) data for DIETHYLENETRIAMINE (6 total), please visit the HSDB record page. |
| Artificial Pollution Sources | Diethylenetriamine may be released in emissions and wastewater during its manufacture and use as a chemical intermediate in the manufacture of wet strength resins, surfactant-softeners, corrosion inhibitors, gas and lube additives, epoxy curing agents, chelating agents, polyamide resins, and asphalt emulsifiers(1). Spills during transport, storage and use would also result in releases(SRC). |
| Environmental Biodegradation | Chemicals containing two terminal amino groups on a noncyclic compound are associated with persistance in 5-day BOD tests(4). Diamines, such as diethylenetriamine, in which the 2 nitrogen groups were not separated by at least 3 carbon atoms were recalcitrant and did not support bacterial growth as a sole source of carbon, nitrogen, and energy(6). No degradation of diethylenetriamine was observed in a 5-day BOD test using an acclimated sewage inoculum(4). Diethylenetriamine is listed as resistant to biodegradation according to the biodegradability test of the Japanese Ministry of International Trade and Industry(1). This test utilizes a mixed inoculum containing sewage, soil and surface water. The BOD was 0% of theoretical in 20 days when incubated with sewage(2). However, the BOD increased to 70% theoretical when an inoculum composed of treated petrochemical effluent, sewage and soil was used that had previously been acclimated for 45-60 days(2). In other BOD tests, 55% of the diethylenetriamine in wastewater biodegraded in 6 weeks(3) and 0% degraded in 2 weeks(5). |
| 직업 노출 등급(OEB) | B |
| 직업 노출 한계(OEL) | TWA: 1 ppm (4 mg/m3) [skin] |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | IE1225000 |
| 운송 번호(UN) | UN 2079 |
| 독성 | LD50 orally in Rabbit: 1540 mg/kg |
| 관세 코드 | 29212900 |
| 위험 문구(R) | 21/22-34-43-37-26 |
| 위험 표시 | C,T+ |
| 안전 문구(S) | 26-36/37/39-45-28 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 2 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1BSTOT SE 3 |
| 기존화학 물질 | KE-01357 |
| 자연 발화 온도 | 676 °F |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| 유해 물질 데이터 | 111-40-0(Hazardous Substances Data) |
용도
용도
디 에틸렌 트리 아민 (DETA)은 종이 습식 강도 수지, 부식 방지제, 연료 첨가제, 에폭시 경화제, 섬유 유연제 및 아스팔트 첨가제의 제조에 일반적으로 사용됩니다.
개요
Diethylenetriamine is a hardener in epoxy resins of the Bisphenol A type. It has been reported as a sensitizer in ultrasonic baths for cleaning jewels, in synthetic lubricants and in carbonless copy paper.
일반 설명
A yellow liquid with an ammonia-like odor. Less dense than water. Corrosive to metals and tissue. Vapors heavier than air. Burns, although possibly difficult to igntie. Toxic oxides of nitrogen produced during combustion. Used as a solvent for plastics and dyes and in chemical synthesis.
제조 및 합성 방법
생산 방법
Diethylenetriamine is produced by the reaction of ethylene dichloride with ammonia. Diethylenetriamine is used in biological studies, for polyamines inhibition to carbonic anhydrases by anchoring to the zinc-coordinated water molecule.