기본 정보
- 표준 SMILES
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1- InChIKey
YREQHYQNNWYQCJ-UHFFFAOYSA-N- 분자식
- C25H28O3
- 평균 분자량
- 376.5 g/mol
- 단동위원소 질량
- 376.20384476
개요
Etofenprox is an aromatic ether that is the 3-phenoxybenzyl ether of 2-(4-ethoxyphenyl)-2-methylpropan-1-ol. It has a role as a pyrethroid ether insecticide. It is functionally related to a 2-(4-ethoxyphenyl)-2-methylpropan-1-ol.
이름 및 식별자
- 우선 이름
- Etofenprox
- IUPAC
- 1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
- 현지명
- 에토펜프록스
- 영어명
- Etofenprox
- 분자식
- C25H28O3
- 분자량
- 376.49
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1705649-55-3、80844-07-1- PubChem CID
- 71245
- DTXSID
DTXSID9032610- ChEMBL
CHEMBL2105573- ChEBI
CHEBI:39348- UNII
- 0LD7P9153C
- EC Number
- 109-904-0、407-980-2、617-179-1
- Nikkaji
- J33.917B
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 27.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 422
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide
Insecticides
Pesticide (Etofenprox) -> USDA PDB
Collision Cross Section
191.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9032610]
191.81 Ų [M+Na]+
189.38 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
물리화학적 성질
- 녹는점
- 36.4 · 36.4-38.0°
- 끓는 점
- 445.03 °C · 445.03°C (rough estimate)
- 밀도
- 1.1386 · 1.1386 (rough estimate)
- 증기압
- 32 · 32×10-3 Pa (100 °C)
- 굴절률
- 20.2 · nD20.2 1.5732
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 100 mg/mL · DMSO: 100 mg/mL (265.61 mM)
- 물리적 상태
- Solid
- 수용성
- -1 · -1(25°C)
- 색상
- Off-white to light yellow
- Henry's Law Constant
- 7.4 · 7.4×101 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 농업환경
- InChI
- 1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
- InChIKey
- YREQHYQNNWYQCJ-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2
- NIST
- Etofenprox(80844-07-1)
- EPA
- Etofenprox (80844-07-1)
화학적 성질
solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H362: May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
P203, P260, P263, P264, P270, P273, P318, P391, and P501 (click each P-code to see the statement)
Warning
H362 (96.7%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
P203, P260, P263, P264, P270, P273, P318, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
Etofenprox is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4043
Etofenprox: HSNO Approval: HSR003567 Approved with controls
Hazard Classes and Categories
Lact. (75%)
Lact. (96.7%)
Lact. (100%)
Reproductive toxicity - effects on or via lactation
Hazardous to the aquatic environment (Acute) - Category 1
Specific target organ toxicity - Single exposure - Category 1 (central nervous system), Category 3 (narcotic effects)
독성 정보
RAIS Toxicity Values
0.0255
OPP
EPA Human Health Benchmarks for Pesticides
Etofenprox
0.0255
151
General Population
Human Health Benchmarks for Pesticides - 2021 Update
안전 데이터
- wgk
- 2
- rtecs
- DA0670000
- ridadr
- UN 3077 9 / PGIII
- 독성
- LD50 in rats, mice (mg/kg): >2880, >107200 orally; >2140, >2140 dermally
- 기존화학 물질
- KE-13473
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Lact.
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Insecticides
응용 분야
용도Etofenprox is used to control a wide variety of insects on fruit, tea, soyabeans and many vegetables. It is also used in public health and animal health.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: An aromatic ether that is the 3-phenoxybenzyl ether of 2-(4-ethoxyphenyl)-2-methylpropan-1-ol.
관련 반응
연결된 노트
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