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제나폴(R)X-080

Nonaethylene Glycol Monododecyl Ether

HCID 178953147
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
9043-30-5
표준 SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey
ONJQDTZCDSESIW-UHFFFAOYSA-N
분자식
C30H62O10
평균 분자량
582.8 g/mol

개요

Polidocanol is a hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group. It has a role as a nonionic surfactant, a hepatotoxic agent and a sclerotherapy agent. It is functionally related to a nonaethylene glycol.

이름 및 식별자

우선 이름
Nonaethylene Glycol Monododecyl Ether
IUPAC
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
현지명
제나폴(R)X-080
영어명
GENAPOL(R) X-080
분자식
HO(CH2CH2O)n(CH2)mH
분자량
0

이름 및 동의어

Polidocanol3055-99-0Nonaethylene glycol monododecyl etherAscleraAethoxy-sklerolnonaethylene glycol monolauryl etherVARITHENA2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolPEG-9 lauryl etherMacrogol 9 lauryl etherdodecyl nonaoxyethylene etherCHEBI:46859
이름 더 보기
제나폴(R)X-080BRIJ 35Isomeric alcohol ethoxylatesC12E23POLYETHYLENE GLYCOL DODECYL ETHERPOLYETHYLENE GLYCOL MONODODECYL ETHERgenapolPOLYOXYETHYLENE DODECYL ETHERDODECYLPOLY(ETHYLENE GLYCOL ETHER)POLYETHYLENE GLYCOL MONOLAURYL ETHER
C12-E9Dodecylnonaoxyethylene glycol monoetherBrij30LauromacrogolsPolidocanolsLaurethsLaureth 1Laureth 7

데이터베이스 식별자

CAS
9043-30-5
ChEMBL
CHEMBL1231723、CHEMBL6067961
ChEBI
CHEBI:46859
EC Number
221-284-4
Nikkaji
J205.362D

물성

구조 계산 물성

XLogP
3.9
극성 표면적
103 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
37
무거운 원자 수
40
형식 전하
0
복잡도
431

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals

Pharmaceuticals -> Listed in ZINC15

Cosmetics · 2건

Cosmetic ingredients (Laureth-9) -> CIR (Cosmetic Ingredient Review)

Emulsifying

Solubilitymiscible
Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Detergents; Sclerosing Solutions; Sclerotherapies; Surface-Active Agents

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point33-36 °C
Food Contact Substances · 4건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

녹는점
41 · 41-45 °C(lit.)
끓는 점
100 °C · 100 °C(lit.)
밀도
1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
증기압
1 mm · <1 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.461
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 20 °C에서 40 mg/mL, 투명, 무색
물리적 상태
25 °C의 · 25°C의 콜로이드 물질
색상
무색의
InChI
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChIKey
ONJQDTZCDSESIW-UHFFFAOYSA-N
SMILES
C(OCCCCCCCCCCCC)COCCOCCOCCOCCOCCOCCOCCOCCO
EPA
Polyethylene glycol monoisotridecyl ether (9043-30-5)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationDodecylnonaoxyethylene glycol monoether: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (50%)

독성 정보

Toxicity Summary · 2건

The CIR Expert Panel concluded that the alkyl PEG ethers, listed below, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating. This assessment is also intended to address future alkyl PEG ether cosmetic ingredients that vary from those ingredients recited herein only by the number of ethylene glycol repeat units...Laureth-9...

Safe for use in cosmetics, with qualifications

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Polidocanol

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MD0875000
ridadr
UN 3082 9/PG 3
risk_code
36/37/38-41-22
hazard_code
Xn
safety_code
26-39
기존화학 물질
KE-21767
F 고인화성물질
3
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 3건

C05BB02

C - Cardiovascular system

QC - Cardiovascular system

Protein BindingPlasma protein binding was not measured.
PharmacodynamicsPolidocanol has a concentration and volume dependent damaging effect on the blood vessel endothelium.
Mechanism of Action · 1건

When administered, polidocanol locally damages blood vessel endothelium. Following the endothelial damage, platelets aggregate at the site and attach to the venous wall eventually resulting in a dense network of platelets, cellular debris, and fibrin that occludes the vessel. Eventually the vessel is replaced by connective fibrous tissue.

Biological Half-LifeThe half-life is approximately 1.5 h.
Metabolism/MetabolitesMetabolism was not measured.
FDA Pharmacological Classification · 6건

0AWH8BFG9A

POLIDOCANOL

Established Pharmacologic Class [EPC] - Sclerosing Agent

Mechanisms of Action [MoA] - Sclerosing Activity

Physiologic Effects [PE] - Vascular Sclerosing Activity

Polidocanol is a Sclerosing Agent. The mechanism of action of polidocanol is as a Sclerosing Activity. The physiologic effect of polidocanol is by means of Vascular Sclerosing Activity.

MeSH Pharmacological Classification · 2건

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

Chemical agents injected into blood vessels and lymphatic sinuses to shrink or cause localized THROMBOSIS; FIBROSIS, and obliteration of the vessels. This treatment is applied in a number of conditions such as VARICOSE VEINS; HEMORRHOIDS; GASTRIC VARICES; ESOPHAGEAL VARICES; PEPTIC ULCER HEMORRHAGE.

Absorption, Distribution and Excretion · 4건

When given intravenously, the maximum blood concentrations were reached in 15 mins.

Route of elimination was not indicated.

When given intravenously, the volume of distribution was 35-82L.

Sytemic clearance was 0.2-0.4 L/min.

용도 및 제조

Uses · 2건

CIR ingredient: Laureth-9

Use (kg; approx.) in Germany (2009): >5000

Household ProductsInformation on 27 consumer products that contain Laureth-9 in the following categories is provided:
Use ClassificationCosmetics -> Emulsifying

응용 분야

용도Polyethylene Glycol Monoisotridecyl Ether is a surfactant commonly used in microemulsions for drug delivery.

일반 설명Contains 8 ethylene oxides.

공급사100 곳

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