Tetraethylene glycol monomethyl ether (HCID 90263)

개요

5S,6S-epoxy-15R-hydroxy-ETE is a poly(ethylene glycol).

이름 및 식별자

우선 이름: Tetraethylene glycol monomethyl ether
IUPAC: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
현지명: 2,5,8,11-테트라옥사트리데칸-13-올
영어명: Tetraethyleneglycol monomethyl ether
분자식: C9H20O5
분자량: 208.25

이름 및 동의어

23783-42-82,5,8,11-Tetraoxatridecan-13-olTetraethylene glycol monomethyl etherDTXSID3027829DTXCID507829RefChem:1099661Tetraethyleneglycol monomethyl etherm-PEG4-alcoholmPEG4-OH3,6,9,12-Tetraoxatridecan-1-ol2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanolMethyl Tetraglycol

이름 더 보기

2,5,8,11-테트라옥사트리데칸-13-올테트라에틸렌글리콜메틸에테르2,5,8,11-테트라옥사트리데칸-13-올(2,5,8,11-TETRAOXATRIDECAN-13-OL)2,5,8,11-테트라옥사트라이데칸-13-올2,5,8,11-테트라옥사트라이데칸-13-올 (7CI, 8CI, 9CI)3,6,9,12-테트라옥사트라이데칸-1-올3,6,9,12-테트라옥사트라이데칸올메톡시테트라데틸렌 글리콜메틸테트라글리콜테트라에틸렌 글리콜 메틸 에테르테트라에틸렌 글리콜 모노메틸 에테르테트라에틸렌글리콜(모노)메틸 에테르MTeGHO-(CH2CH2O)4-MeMethyl-PEG4-alcohol

C9H20O5MFCD000417565S,6S-epoxy-15R-hydroxy-ETE3,6,9,12-tetraoxatridecanol3,6,9,12-TetraoxotridecanolPEG-4 methyl ether2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOLTetraethyleneglycol monomethylether

데이터베이스 식별자

CAS: 23783-42-8
PubChem CID: 90263
DTXSID: DTXSID3027829
ChEMBL: CHEMBL1232586
ChEBI: CHEBI:189796
UNII: 9V7ZMW7RF5
EC Number: 245-883-5
Nikkaji: J97.011E

물성

구조 계산 물성

XLogP: -1
극성 표면적: 57.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 11
무거운 원자 수: 14
형식 전하: 0
복잡도: 99.2

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

SolventsSolvents -> Glycol Ethers (E Series)

CosmeticsCosmetic ingredients (PEG-4 Methyl Ether) -> CIR (Cosmetic Ingredient Review)

SpringerMaterials PropertiesSurface tension

SurfactantsSurfactant

LogP-0.6

물리화학적 성질

끓는 점: 158 · 158-160 °C (5 mmHg)
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C
증기압: 0.1 Pa · 0.1Pa at 20℃
굴절률: 1.444 · 1.444-1.446
인화점: 110 °C · >110°C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 14.36 · 14.36±0.10(Predicted)
색상: 투명하고 무색에서 아주 약간 노란색을 띤다.
수용성: 999 · 수용성 999,999c.
InChI: 1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
InChIKey: ZNYRFEPBTVGZDN-UHFFFAOYSA-N
SMILES: COCCOCCOCCOCCO
LogP: -1.5 at · -1.5 at 20℃
EPA: 2 · 2,5,8,11-Tetraoxatridecan-13-ol (23783-42-8)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 96.9% (155 of 160) of all reports.

Not Classified

Aggregated GHS information provided per 160 reports by companies from 3 notifications to the ECHA C&L Inventory.

Not Classified

유해성 정보

Regulatory Information · 4건

Chemical: 2,5,8,11-Tetraoxatridecan-13-ol

3,6,9,12-Tetraoxatridecan-1-ol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraoxatridecan-1-ol 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)

REACH registered substance: 3,6,9,12-tetraoxotridecanol (EC: 245-883-5)

2,5,8,11-Tetraoxatridecan-13-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsCombustible.

Hazards Summary · 1건

Not a skin or eye irritant in rabbits; [IUCLID] Similar glycol ethers demonstrate low acute toxicity by oral, dermal, and inhalation exposure; Histopathological liver changes and testicular toxicity at high doses in sub-chronic oral studies of rats; [OECD SIDS: High Boiling Ethylene Glycol Ethers - 2002] May cause irritation; [Acros Organics MSDS] See Tetraethylene glycol butyl ether.

Chemical DangersReacts with strong oxidants.

Hazard Classes and CategoriesNot Classified

안전 및 보호

Fire FightingUse water spray, dry powder, alcohol-resistant foam, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest.

Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Do NOT induce vomiting.

Safe StorageSeparated from strong oxidants.

Spillage DisposalPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in sealable containers. Wash away spilled liquid with plenty of water.

Eye PreventionWear safety goggles.

Fire PreventionNO open flames.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

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...PEG-4 Methyl Ether...

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 2건

Redness.

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29094990
safety_code: 24/25-22
기존화학 물질: KE-33649
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Uses · 2건

CIR ingredient: PEG-4 Methyl Ether

Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in the automobile industry in brake and hydraulic fluids; [IUCLID] Only available commercially in glycol ether mixtures; High boiling ethylene glycol ethers are mainly used in automotive hydraulic brake fluids; [OECD SIDS: High Boiling Ethylene Glycol Ethers - 2002]

U.S. Production2023: 5,000,000 - <10,000,000 lb

Consumer UsesHydraulic fluids

Industry UsesEmulsifier

Household ProductsInformation on 2 consumer products that contain Tetraethylene Glycol Monomethyl Ether in the following categories is provided:

General Manufacturing Information · 2건

Plastics Product Manufacturing

3,6,9,12-Tetraoxatridecan-1-ol: ACTIVE

응용 분야

용도2,5,8,11-Tetraoxatridecan-13-o1, can be used in the synthesis of various chemicla compounds. It is also a monofunctional PEG that can be used in polymer science.