Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디옥사카르브
다이옥사캅 · 디옥사카르브 · 디옥사캅 · [2-(1,3-다이옥솔란-2-일)페닐] N-메틸카바메이트 · 2-(1,3-다이옥솔란-2-일)-페닐 N-메틸카바메이트 · 2-(1,3-다이옥솔란-2-일)페닐 N-메틸카바메이트 · 2-(1,3-다이옥솔란-2-일)페닐 메틸카바메이트 · 2-(1,3-다이옥솔레인-2-일)페놀 1-(N-메틸카바메이트)
식별자 및 물리적 특성
| CAS No. | 6988-21-2 |
|---|---|
| 분자식 | C11H13NO4 |
| 평균 분자량 | 223.22 g/mol |
| 단동위원소 질량 | 223.0844579 g/mol |
| SMILES | CNC(=O)Oc1ccccc1C1OCCO1 |
| InChIKey | SDKQRNRRDYRQKY-UHFFFAOYSA-N |
| PubChem CID | 23421 |
| ChEMBL | CHEMBL3188645 |
| ChEBI | CHEBI:82093 |
| EC No. | 230-253-4 |
| DTXSID | DTXSID2041886 |
| 현지명 | 디옥사카르브 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 56.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 240 |
| SpringerMaterials Properties | Fusion temperature |
| 농약 | InsecticidesActive substance -> EU Pesticides database: Not approvedPesticide (Dioxacarb) -> USDA PDB |
| LogP(분배 계수) | 0.67 |
| Collision Cross Section | 151.9 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2041886] |
| 녹는점 | 114.5℃ |
| 끓는 점 | 364.51°C (rough estimate) |
| 밀도 | 1.2446 (rough estimate) |
| 굴절률 | 1.4960 (estimate) |
| 저장 조건 | 0-6°C |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 12.17±0.46(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 6g/L(20 ºC) |
| 헨리 상수 | 6.7×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| EPA | Dioxacarb (6988-21-2) |
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 규제 정보 | 2002/2076 |
| DOT Hazard Classification | DioxacarbMarine pollutant |
| Hazard Classes and Categories | Acute Tox. 3 (97.6%)Acute toxicity - category 3Acute toxicity (Oral) - Category 2Acute Tox. 3 * |
| Treatment | If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally. |
| 건강 영향 | Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321). |
| 노출 경로 | Inhalation (L793)oral (L793)dermal (L793) |
| 독성 요약 | Dioxacarb is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. |
| Signs and Symptoms | As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RTECS 번호 | FC1925000 |
| 운송 번호(UN) | 2757 |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 25-51/53 |
| 위험 표시 | T,N |
| 안전 문구(S) | 37-45-61 |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
| 기존화학 물질 | KE-05-0554 |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 디옥사캅 및 이를 1% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 97-1-43 |
용도
용도
Dioxacarb is used as pesticide.