피페로닐부톡사이드

피페로닐뷰톡사이드 · 피페로닐부톡시드 · 피페로닐부톡사이드 · 피페로닐 뷰톡사이드 · PBO · Butoxide · 5-[2-(2-BUTOXYETHOXY)ETHOXYMETHYL]-6-PROPYL-1,3-BENZODIOXOLE · BUTACIDE

https://huagongshe.com/ko/chemical/5794

식별자 및 물리적 특성

CAS No.	51-03-6
분자식	C19H30O5
평균 분자량	338.4 g/mol
단동위원소 질량	338.20932406 g/mol
SMILES	CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
InChIKey	FIPWRIJSWJWJAI-UHFFFAOYSA-N
PubChem CID	5794
ChEMBL	CHEMBL1201131
ChEBI	CHEBI:32687
EC No.	200-076-7
DTXSID	DTXSID1021166
현지명	피페로닐부톡사이드

화학 및 물리적 성질

XLogP	3.7
극성 표면적	46.2
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	13
무거운 원자 수	24
형식 전하	0
복잡도	312
의약품	Pharmaceuticals -> Listed in ZINC15
농약	Pesticides -> Other InsecticidesPesticide (Piperonyl butoxide) -> USDA PDB
LogP(분배 계수)	log Kow = 4.754.29
냄새	ODORLESSMild odor온화한 냄새 또는 무취
맛	FAINT BITTER TASTE
밀도	1.04 to 1.07 at 68 °F (NTP, 1992)1.06 at 20 °CRelative density (water = 1): 1.11.04-1.071.06 @ 20°C1.059 g/mL at 25 °C(lit.)
Viscosity	40 cP at 25 °C
Color/Form	Colorless liquidPale yellowish liquidLight brown liquid
용해도	less than 1 mg/mL at 64 °F (NTP, 1992)Miscible with methanol, ethanol, benzene, Freons, Geons, petroleum oils, and other organic solventsIn water, 14.3 mg/L at 25 °CSolubility in water: none물: 20.4°C에서 약간 용해됨0.0289g/L
Corrosivity	NONCORROSIVE
인화점	340 °F (NTP, 1992)171 °C340 °F (171 °C) (open cup)>230 °F
Human Drugs	FDA approved drugs -> Active ingredient
녹는점	<25 °C
끓는 점	180 °C
증기압	0.02 hPa (60 °C)
굴절률	n20/D 1.498(lit.)
저장 조건	2-8°C
물리적 상태	액체
비중	1.060 (20/4℃)
색상	맑은 노란색
용해도	18°C에서 <0.1g/100mL
Merck	14,7476
BRN	288063
헨리 상수	1.1×105 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 타기 쉬운. 산화제와 호환되지 않습니다.
화장품 원료 기능	피부 보호
InChI	1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKey	HHZWGSFIZRNPFB-UHFFFAOYSA-N
SMILES	CCCCOCCOCCOCc1cc2OCOc2cc1CCC
LogP(분배 계수)	4.750
NIST	Piperonyl butoxide(51-03-6)
EPA	Piperonyl butoxide (51-03-6)

화학적 성질

Piperonyl butoxide (PB) is a Light Yellow Liquid. It has no smell or a faint smell and a slightly bitter taste. It does not dissolve in water but can be dissolved in mineral oil and most organic solvents. It is stable to light, resistant to hydrolysis, and is not corrosive. In terms of toxicity, the LD50 (lethal dose for 50% of a test population) is 7500mg/kg in rats when administered orally.

안전 및 규제

GHS 분류	WarningH319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 1.8% (5 of 279) of reports.H319 (31.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
규제 정보	Chemical: 1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Piperonyl butoxide is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 28-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10134Piperonyl butoxide: HSNO Approval: HSR002869 Approved with controls
운송 라벨(DOT)	Poison
화재 위험	This chemical is combustible. (NTP, 1992)
화재 가능성	Combustible when exposed to heat or flamecan react with oxidizing materials.
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include vomiting, diarrhea, anorexia and mild central nervous system depression.
유해성 요약	No listed effects of short-term or long-term exposure[ICSC] Skin absorption is limited, and mammalian toxicity is low[EPA Pesticides, p. 191]
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed over-the-counter drug products, incl piperonyl butoxide, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: the combination of pyrethrum extract (formerly named pyrethrins) and piperonyl butoxide in an aerosol dosage formulation is included in pediculicide drug products.

용도

개요

Piperonyl butoxide (PBO) is a water insoluble colorless to pale yellow liquid that was developed in the 1940s to increase the effectiveness of various pesticides. It is currently registered as an active ingredient in more than 1500 products used for indoor or outdoor pesticides, including agricultural maintenance of some food crops.

용도

Piperonyl butoxide is used as a synergist for pyrethrins and their synthetic analogues. It is typically added to carbamate, pyrethrin, pyrethroid, and rotenone pesticides to greatly enhance their potency. PBO alone does not have pesticidal properties.

일반 설명

Pale yellow to light brown liquid with a mild odor and a faint bitter taste.

제조 및 합성 방법

제조 방법

First, safrole is obtained from allyl chloride and methylenedioxybenzene. Then, piperonyl butoxide is produced by catalytic hydrogenation, chloromethylation, and etherification reactions.