Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
이소부틸아민
아이소뷰틸아민 · 이소부틸아민 · 1-아미노-2-메틸프로판 · 1-아미노-2-메틸프로페인 · 2-메틸-1-아미노프로페인 · 2-메틸-1-프로판아민 · 2-메틸프로판-1-아민 · 2-메틸프로판아민
식별자 및 물리적 특성
| CAS No. | 78-81-9 |
|---|---|
| 분자식 | C4H11N |
| 평균 분자량 | 73.14 g/mol |
| 단동위원소 질량 | 73.08914935 g/mol |
| SMILES | CC(C)CN |
| InChIKey | KDSNLYIMUZNERS-UHFFFAOYSA-N |
| PubChem CID | 6558 |
| ChEBI | CHEBI:15997 |
| EC No. | 201-145-4 |
| DTXSID | DTXSID9025459 |
| 현지명 | 이소부틸아민 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 17.6 |
| 물질 분류 | Nitrogen Compounds -> Amines, AliphaticFlammable agents - 3rd degree |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 0.73 |
| 냄새 | Amine odorFish-like odor.강한 암모니아성. |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.739 at 68 °F (USCG, 1999) - Less dense than waterwill float0.724 at 25 °C/4 °CRelative density (water = 1): 0.720.731-0.7370.731 @ 20°C0.736 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | Colorless liquid |
| 용해도 | Very soluble (NTP, 1992)Very sol in alcohol, etherSol in acetone, benzeneIn water, 1X10+6 mg/L (miscible) at 25 °C1000 mg/mL at 25 °CSolubility in water: miscibleSoluble in water1000g/L |
| Corrosivity | Strongly caustic |
| 인화점 | 15 °F (NTP, 1992)15 °F (-9 °C) (closed cup)-9.0 °C c.c. |
| 끓는 점 | 154 to 156 °F at 760 mmHg (NTP, 1992)68-69 °C67.00 to 71.00 °C. @ 760.00 mm Hg68 °C64-71 °C (lit.) |
| 녹는점 | -85 °C (lit.) |
| 증기압 | 15.9kPa at 20℃ |
| FEMA | 4239 | ISOBUTYLAMINE |
| 굴절률 | n20/D 1.397(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:10.41(＋1) (25°C) |
| 색상 | 무색투명~미황색 |
| pH | 12.2 (100g/l, H2O, 20℃) |
| 폭발한계 | 2-9%(V) |
| 후각 역치 | 0.0015ppm |
| 향취 유형 | 비린내 |
| 용해도 | 녹는 |
| 비열 | Cp(liquid): 2.5 J/(g·K), at 25℃ |
| JECFA Number | 1583 |
| Merck | 14,5132 |
| BRN | 385626 |
| 헨리 상수 | 7.3×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 4.4(Ambient) |
| InChI | 1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 |
| InChIKey | KDSNLYIMUZNERS-UHFFFAOYSA-N |
| SMILES | CC(C)CN |
| LogP(분배 계수) | -0.3 at 25℃ |
| NIST | 1-Propanamine, 2-methyl-(78-81-9) |
| EPA | Isobutylamine (78-81-9) |
화학적 성질
Isobutylamine is a flammable liquid, miscible with water, alcohol, and ether. Colorless to yellow liquid; fishy cheesy aroma.
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 208 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1-Propanamine, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 26-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27674Isobutylamine: 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.) |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 운송 라벨(DOT) | Flammable Liquid Corrosive |
| 화재 위험 | Special Hazards of Combustion Products: Toxic oxides of nitrogen may be formed in fire.· Flammable/combustible material.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 화재 가능성 | Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.DANGEROUS, WHEN EXPOSED TO HEAT OR FLAMECAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS |
| 건강 유해성 | Inhalation causes severe coughing and chest pain due to irritation of air passagescan cause lung edema. Compound is sympathomimetic and is also a cardiac depressant and convulsantingestion causes nausea and profuse salivation. Contact with eyes causes severe irritation and edema of the cornea. Contact with skin causes severe irritation. (USCG, 1999)· May cause toxic effects if inhaled or ingested. |
| 유해성 요약 | Corrosive to skin[Quick CPC] High inhalation exposure can cause pulmonary edema[ICSC] Contact with skin may cause erythema and blistering[Merck Index] Causes convulsions and ataxia in oral lethal-dose studies of rats[RTECS] Short-term exposure causes second- and third-degree burns and corneal edemaInhalation causes intense coughing, chest pain, and possibly pulmonary edema[CHRIS] Safe when used as a flavoring agent in food[JECFA] |
| 운송 번호 및 가이드(DOT) | 1214 132 |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| UN 분류 | UN Hazard Class: 3UN Subsidiary Risks: 8UN Pack Group: II |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ISOBUTYLAMINE 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 132 [Flammable Liquids - Corrosive]: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 for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer 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: |
| 안전 보관 | Fireproof. Separated from strong oxidants, strong acids and food and feedstuffs. |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA).2.0 [ppm], Ceiling = 5 ppm[German Research Foundation (DFG)] |
| 소화 절차 | Dry chemical, foam, carbon dioxide, or alcohol foam.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, dry chemical or carbon dioxide. |
| 보관 조건 | Fireproof. Separated from strong oxidants, strong acids, food and feedstuffsStore in refrigerator. Keep under an inert atmosphere for long-term storage. /Butyl Amines/ |
| 정리 방법 | Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking liquid in sealable containers. Cautiously neutralize spilled liquid. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Then wash away with plenty of water.Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or a similar material and deposit in sealed containers. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean-up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable. /Butyl Amines/Small Spill: Use absorbent paper to pick up spilled material. Follow by washing surfaces well with soap and water. Seal all wastes in vapor-tight plastic bags for eventual disposal.Environmental considerations-land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Apply appropriate foam to diminish vapor and fire hazard. Neutralize with sodium bisulfate (NaHSO4).For more Cleanup Methods (Complete) data for ISOBUTYLAMINE (6 total), please visit the HSDB record page. |
| 비화재 누출 대응 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 처리 방법 | 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.IncinerationIncinerator is equipped with a scrubber or thermal unit to reduce NOx emissions. Alternatively it may be poured into sodium bisulfate, neutralized and flushed with water. /n-Butylamine/Burn the paper in a suitable location away from combustible material. Large quantities can be reclaimed or collected and atomized in suitable combustion chamber equipped with appropriate effluent gas cleaning device. /N-butylamine//Absorb small spills with paper and/ burn the paper in a suitable location away from combustible materials. Large quantities can be reclaimed or collected & atomized in suitable combustion chamber equipped with appropriate effluent gas cleaning device. |
| 누출 처리 | Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Cautiously neutralize spilled liquid. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Wash away remainder with plenty of water. |
| 생태독성 수치 | LC50 Danio rerio (Zebrafish, embryo) 1,267 umol/L/48 hr (95% confidence 1,093-1,610 umol/L)static (DarT test) /from table/LD50 Danio rerio (Zebrafish, embryo) 3,282 umol/kg (calculated)LC100 Semotilus atromaculatus /(Creek chub)/ 820 umol/L/24 hrstatic, 15-21 °C /from table/ |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.73(2) and a regression-derived equation(3), indicates that isobutylamine is expected to have high mobility in soil(SRC). The pKa of isobutylamine is 10.68(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of isobutylamine from moist soil surfaces is not expected to be an important fate process given its cation state(SRC). Isobutylamine is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(6). Isobutylamine was 87 percent and 68 percent biodegraded during a 2 week incubation period using a Japanese MITI test(7), suggesting that biodegradation may occur in soils(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.73(2) and a regression-derived equation(3), indicates that isobutylamine is not expected to adsorb to suspended solids and sediment in water(SRC). A pKa of 10.68(4) indicates isobutylamine will exist almost entirely in the cation 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). Isobutylamine was 87 percent and 68 percent biodegraded during a 2 week incubation period using a Japanese MITI test(8), suggesting that biodegradation may occur in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobutylamine, which has a vapor pressure of 138 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobutylamine 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 11 hours(SRC) from its estimated rate constant of 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC), derived using a structure estimation method(3). Isobutylamine 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). |
| 식품 조사 수치 | Volatile amines /including isobutylamine were/ isolated ... from 4 month old Chanakh cheese.The concn of various amines in 13 red and 10 white Italian wines were determined. ... The mean value for the red and white wines were 0.06 mg/L and 0.23 mg/L for isobutylamine, respectively.Isobutylamine has been qualitatively detected in various Italian cheeses, in German wine, in American beef, in Valencia oranges, lemons from CA and cooked and boiled beef(1-6).Isobutylamine concentrations in various foods(1). [Table#1715] |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 노출 경로 | The substance can be absorbed into the body by inhalation of its vapour and by ingestion. |
| Milk Concentrations | ... The presence of volatile aliphatic amines ... in human breast milk and amniotic fluid /was measured/ to assess their role in neonatal hypergastrinemia. These volatile nitrogenous amino acid metabolites have been previously demonstrated to stimulate gastrin release in in vivo and in vitro laboratory preparations. ... The present study ... demonstrated that these gastrin-stimulatory volatile amines were present in significant concentrations in breast milk during the first several weeks after parturition and in amniotic fluid. The individual amines that were identified in both human milk and amniotic fluid samples were methylamine, dimethylamine, ethylamine, trimethylamine, propylamine, isobutylamine, and butylamine. This study provides indirect evidence to support the possibility that the hypergastrinemia measured in the fetus/neonate during the period immediately before and after birth may be attributable, in part, to the ingestion of fluid containing high concentrations of gastrin-stimulating amines. |
| Plant Concentrations | Isobutylamine has been detected in various species of marine algae(1). It has been found to occur naturally in Latakia tobacco leaves(2). |
| Signs and Symptoms | Burning sensation. Cough. Shortness of breath. Laboured breathing. Symptoms may be delayed.Pain. Redness. Skin burns.Redness. Pain. Severe deep burns.Abdominal pain. Burning sensation. Shock or collapse. |
| Effluent Concentrations | Isobutylamine was detected in the leachate from a municipal refuse waste disposal site in the Netherlands at a concn of 32 ppm(1). Isobutylamine was identified, not quantified, in the effluent of a cattle feed lot(2). |
| Soil Adsorption/Mobility | The Koc of isobutylamine is estimated as 60(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutylamine is expected to have high mobility in soil. The pKa of isobutylamine is 10.68(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). |
| Natural Pollution Sources | ... amines from decomposing fish ... /Amines//The microbe/ ... Proteus mirabilis was found to produce isobutylamine.Isobutylamine is a natural component of tobacco(1) and has been detected in marine algae(2). |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ INHALATION: Burning sensation. Cough. Shortness of breath. Labored breathing. Symptoms may be delayed. SKIN: Pain. Redness. EYES: Redness. Pain. Severe deep burns. Skin burns. INGESTION: Abdominal pain. Burning sensation. Shock or collapse./SIGNS AND SYMPTOMS/ SKIN CONTACT CAN RESULT IN ERYTHEMA, BLISTERING. INHALATION CAUSES HEADACHE, DRYNESS OF NOSE & THROAT./SIGNS AND SYMPTOMS/ Isobutylamine induces nausea and unpleasant salivation in man at 40 mg/kg orally./SIGNS AND SYMPTOMS/ Skin contact can result in erythema and blisteringinhalation causes headache and dryness of the nose and throat.For more Human Toxicity Excerpts (Complete) data for ISOBUTYLAMINE (8 total), please visit the HSDB record page. |
| CERCLA 보고 수량 | 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 1000 lb or 454 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). |
| 청정수법 요건 | Isobutyamine is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance. |
| 직업 노출 한계(OEL) | STEL: 5.0 ppm15.0 mg/m3 |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | NP9900000 |
| 운송 번호(UN) | UN 1214 |
| 독성 | LD50 (14 day) in male, female rats (mg/kg): 224.4, 231.8 orally (Cheever) |
| 관세 코드 | 29211990 |
| 위험 문구(R) | 11-22-35 |
| 위험 표시 | F,C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 3 OralFlam. Liq. 2Skin Corr. 1A |
| 기존화학 물질 | KE-25292 |
| F 고인화성물질 | 10-23 |
| 자연 발화 온도 | 400°C |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 78-81-9(Hazardous Substances Data) |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 이소부틸아민 및 이를 25% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 97-1-227 |
용도
일반 설명
Isobutylamine is a clear colorless liquid with a fishlike odor. Flash point 15°F. Less dense (6.1 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
제조 및 합성 방법
생산 방법
Isobutylamine is manufactured from isobutanol and ammonia or by the thermal decomposition of valine to isoleucine.