Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
n-Butyl carbamate
BUTYL CARBAMATE · usaffo-1 · USAF fo-1 · usafel-101 · USAF el-101 · -Butyl carbamate · N-BUTYL CARBAMATE · N-BUTYLCARBAMICACID
식별자 및 물리적 특성
| CAS No. | 592-35-8 |
|---|---|
| 분자식 | C5H11NO2 |
| 평균 분자량 | 117.15 g/mol |
| 단동위원소 질량 | 117.07897859 g/mol |
| SMILES | CCCCOC(N)=O |
| InChIKey | SKKTUOZKZKCGTB-UHFFFAOYSA-N |
| PubChem CID | 11596 |
| ChEMBL | CHEMBL3276742 |
| EC No. | 209-751-0 |
| DTXSID | DTXSID2060462 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 52.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 72.8 |
| 물질 분류 | Other Classes -> Carbamic Acid Esters |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | log Kow= 0.85 |
| Color/Form | PRISMS |
| 용해도 | Very soluble in ethanol, slightly soluble in chloroform.In water, 2.58X10+4 mg/l at 37 °C.쉽게 용해됨 |
| 끓는 점 | 204 °C (WITH DECOMP) |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx. |
| 녹는점 | 53 °C53-55 °C (lit.) |
| 증기압 | 0.15 [mmHg]2.65hPa at 20℃ |
| Physical Description | SolidSoluble in water (25.8 g/L at 37 deg C)[HSDB] |
| 밀도 | 0.9308 (estimate) |
| 굴절률 | 1.4189 (estimate) |
| 인화점 | 228 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 13.52±0.50(Predicted) |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 녹는 |
| 헨리 상수 | 1.1×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7) |
| InChIKey | SKKTUOZKZKCGTB-UHFFFAOYSA-N |
| SMILES | CCCCOC(N)=O |
| LogP(분배 계수) | 2.75 at 25℃ |
| NIST | Butyl carbamate(592-35-8) |
| EPA | Carbamic acid, butyl ester (592-35-8) |
화학적 성질
WHITE FLAKES
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.3% (5 of 222) of reports.DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22604Butyl carbamate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 유해성 요약 | Corrosive to the eyesMay cause skin sensitization(based on animal studies)[IUCLID] A severe eye irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| 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. |
| 환경 거동 | TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 69(SRC), determined from a measured log Kow of 0.85(2) and a recommended regression-derived equation(3), indicates that n-butyl carbamate is expected to have high mobility in soil(SRC). Volatilization of n-butyl carbamate from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 9.3X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(4).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 69(SRC), determined from a measured log Kow of 0.85(2) and a recommended regression-derived equation(3), indicates that n-butyl carbamate is not expected to adsorb to suspended solids and sediment in water(SRC). n-Butyl carbamate is not expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 9.3X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 2.6(3,SRC), from a measured log Kow(2), suggests that bioconcentration in aquatic organisms is low(SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(6). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(7)this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(7,SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-butyl carbamate, which has an estimated vapor pressure of 0.15 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-butyl carbamate 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 about 1.5 days(3,SRC). |
| 유해 작용 | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Soil Adsorption/Mobility | The Koc of n-butyl carbamate was estimated as approximately 69(SRC), using a measured log Kow of 0.85(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that n-butyl carbamate is expected to have high mobility in soil(SRC). |
| Environmental Bioconcentration | An estimated BCF of 2.6 was calculated for n-butyl carbamate(SRC), using a measured log Kow of 0.85(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for n-butyl carbamate is estimated as 9.3X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that n-butyl carbamate will be essentially nonvolatile from water surfaces(2,SRC). n-Butyl carbamate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC). |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of isopropyl carbamate with photochemically-produced hydroxyl radicals has been estimated as 1.1X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1.5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(2). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(3)this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(3,SRC). |
| Environmental Fate/Exposure Summary | In air, n-butyl carbamate is expected to exist solely as a vapor in the ambient atmosphere based on an estimated vapor pressure of 0.15 mm Hg. Vapor-phase n-butyl carbamate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals with an estimated half-life of 1.5 days. In soil, an estimated Koc of 69 suggests that isopropyl carbamate is expected to have high mobility. Volatilization from moist soil surfaces is not expected based on an estimated Henry's Law constant of 9.3X10-8 atm-cu m/mole. In water, n-butyl carbamate is not expected to adsorb to suspended solids and sediment in the water column based on its estimated Koc. Volatilization from water surfaces is not expected given this compound's Henry's Law constant. The potential for bioconcentration in aquatic organisms is low based on an estimated BCF of 2.6. Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditionshydrolysis half-lives of 3300 and 330 years at pH values of 7 and 8, respectively were estimated for n-butyl carbamate. (SRC) |
| Antidote and Emergency Treatment | For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Esters and related compounds/ |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EZ0175000 |
| 관세 코드 | 29241990 |
| 위험 문구(R) | 22-41-43-36/37/38-10-36-20/21/22 |
| 위험 표시 | Xn,Xi,F |
| 안전 문구(S) | 26-36/37/39-24/25-16-7/9-36/37 |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Skin Sens. 1 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 592-35-8(Hazardous Substances Data) |