Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
프로파지트
프로파르지트 · 프로파지트 · propargil · BPPS · OMITE · comite · RETADOR · d014
식별자 및 물리적 특성
| CAS No. | 2312-35-8 |
|---|---|
| 분자식 | C19H26O4S |
| 평균 분자량 | 350.5 g/mol |
| 단동위원소 질량 | 350.15518031 g/mol |
| SMILES | C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1 |
| InChIKey | ZYHMJXZULPZUED-UHFFFAOYSA-N |
| PubChem CID | 4936 |
| ChEMBL | CHEMBL1416084 |
| ChEBI | CHEBI:39300 |
| EC No. | 219-006-1 |
| DTXSID | DTXSID4024276 |
| 현지명 | 프로파지트 |
화학 및 물리적 성질
| XLogP | 5 |
|---|---|
| 극성 표면적 | 64 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 454 |
| 물질 분류 | Teratogens |
| 농약 | Pesticide -> EPA IRISAcaricidesActive substance -> EU Pesticides database: Not approvedPesticides -> Other InsecticidesPesticide (Propargite) -> USDA PDB |
| LogP(분배 계수) | log Kow = 5.73.73 |
| 밀도 | 1.085 to 1.115 at 68 °F (USCG, 1999)1.10 at 20 °C1.1604 (rough estimate) |
| Color/Form | Brownish-yellow, oily viscous liquid (tech.)Light to dark brown viscous liquid |
| 용해도 | Fully miscible with hexane, toluene, dichloromethane, methanol and acetoneIn water, 0.215 mg/L at 25 °C클로로포름(약간 용해됨), 헥산(약간 용해됨) |
| 인화점 | 82 °F (USCG, 1999)71 °C |
| 끓는 점 | Decomposes. (USCG, 1999)Decomposes at about 200 °C prior to boiling454.45°C (rough estimate) |
| 증기압 | 0.00000004 [mmHg]3X10-7 mm Hg at 25 °C0Pa at 20℃ |
| Physical Description | Propargite is a dark colored liquid. It is a wettable powder or water emulsifiable liquid. It can cause illness by inhalation, skin absorption and/or ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It is used as a pesticide. Practically insoluble in water (10.5 mg/L). Used as an acaricide.Viscous liquid[Merck Index] Brownish-yellow oily liquid[HSDB] Light to dark brown viscous liquidFormulated as emulsifiable concentrate liquid and wettable powder[Reference #1] Omite 579 EW: Off-white liquid[EFSA] Brown liquid[Aldrich MSDS] |
| Collision Cross Section | 186.9 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID4024276] |
| Other Experimental Properties | DARK AMBER, VISCOUS OILDENSITY: 1.085-1.115 @ 25 °CPRACTICALLY INSOL IN WATERSOL IN MOST ORG SOLVENTS. /TECHNICAL PRODUCT/ |
| 녹는점 | <25 °C |
| 굴절률 | 1.5220 (estimate) |
| 저장 조건 | Sealed in dry,2-8°C |
| 물리적 상태 | 점성 액체 |
| 색상 | 다크/라이트 브라운 |
| 용해도 | 215μg/L at 20℃ |
| Merck | 13,7900 |
| BRN | 6934289 |
| 헨리 상수 | 1.5×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 주요 응용 | 농업청소용품화장품환경음식 및 음료개인 위생 관리 |
| InChI | 1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3 |
| InChIKey | ZYHMJXZULPZUED-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 |
| LogP(분배 계수) | 5.7 |
| NIST | Propargite(2312-35-8) |
| EPA | Propargite (2312-35-8) |
화학적 성질
Insoluble in water.
안전 및 규제
| GHS 분류 | DangerH315: Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityDevelopmental ToxicityCommission Regulation (EC) No 33/2008Propargite is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/934, Reg. (EU) No 943/2011REACH registered substance: Propargite (EC: 219-006-1)Propargite: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester: Environment tier I assessment |
| 운송 라벨(DOT) | Class 9 |
| 화재 위험 | Special Hazards of Combustion Products: Irritating fumes of sulfur oxides are produced. |
| 건강 유해성 | INHALATION: Irritation of mucous membranes. EYES: Irritation, may be severe. SKIN: Irritation. (USCG, 1999) |
| 유해성 요약 | Outbreaks of irritant contact dermatitis in farmworkers have been reported. [Kanerva, p. 787] Slowly reacts with water forming sulfur dioxide and alcoholsA skin, eye (may be severe), and mucous membrane irritant[CAMEO] Reports of dermatitis and eye irritation in agricultural employees[HSDB] Corrosive to rabbit skin and eyesA skin sensitizer in guinea pigsClassified as a probable human carcinogen based on fatal intestinal tumors in experimental animals[Reference #1] A skin and severe eye irritantToxic by inhalation[Aldrich MSDS] |
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Special Reports | USEPA/Office of Pesticide Programs |
용도
개요
The pesticide omite pricipally acts as an irritant. Contact dermatitis was reported in 40 of 47 agricultural workers using it.
용도
Propargite is a pesticide used to control mite and is used on various crops from cotton to corn.
일반 설명
Propargite is a dark colored liquid. Propargite is a wettable powder or water emulsifiable liquid. Propargite can cause illness by inhalation, skin absorption and/or ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since Propargite is a liquid Propargite can easily penetrate the soil and contaminate groundwater and nearby streams. Propargite is used as a pesticide. Practically insoluble in water (10.5 mg/L). Used as an acaricide.