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Nonaethylene Glycol Monododecyl Ether

HCID 656641
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
3055-99-0
표준 SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey
ONJQDTZCDSESIW-UHFFFAOYSA-N
분자식
C30H62O10
평균 분자량
582.8 g/mol
단동위원소 질량
582.43429817

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
영어명
Nonaethylene glycol monododecyl ether
분자식
C30H62O10
분자량
582.81

이름 및 동의어

Polidocanol3055-99-0Nonaethylene glycol monododecyl etherAscleraAethoxy-sklerolnonaethylene glycol monolauryl etherVARITHENAPEG-9 lauryl etherMacrogol 9 lauryl etherdodecyl nonaoxyethylene ether2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolDodecylnonaoxyethylene glycol monoether
이름 더 보기
Dodecylnonaglycol3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-olPolydocacolPolyether polyoANAPOE (R) -C12E9n-dodecyl-PEG9-OHC12E9 10% solutionPolydocanol Impurity 1dodecaneylnonaethyldioletherDodecyl nona(oxyethylene) ether
CHEBI:46859C12-E9Brij30LauromacrogolsPolidocanolsLaurethsLaureth 1Laureth 7

데이터베이스 식별자

CAS
3055-99-0、9002-92-0
PubChem CID
656641
DTXSID
DTXSID5039721
ChEMBL
CHEMBL1231723
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
33 · 33-36 °C
끓는 점
615.9 · 615.9±50.0 °C(Predicted)
밀도
1.007 · 1.007±0.06 g/cm3 (20 ºC 760 Torr)
굴절률
20 · n20/D 1.459
인화점
244 ℃ · 244℃ (Cleveland open test)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
젤
산도 계수 (pKa)
14.36 · 14.36±0.10(Predicted)
색상
흰색에서 황백색까지
수소이온지수(pH)
pH (50g/l, 25℃) : 4.0~6.0
냄새
100 · 100.00?%. 온화한
BRN
1895308 · 1895308
화장품 원료 기능
계면활성제 - 유화제
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(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
LogP
3.029 · 3.029 (est)

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
safety_code
23-24/25
스토리지 클래스
10 - Combustible liquids

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

용도Nonaethylene Glycol Monododecyl Ether is a nonionic surfactant useful in the formation of emulsions.

일반 설명Nonaethylene glycol monododecyl ether [C12H25O(CH2CH2O)9H] (AEO9) is a non-ionic surfactant.

공급사100 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
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南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京诺其雅盛生物科技有限公司4000-819-385 010-62329685 13718666987
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湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
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上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 628746 반응식
HRID 628746반응물로uspto-grants-2016_04

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