Tetraethylene glycol monomethyl ether (HCID 90263)

概要

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

名称と識別子

優先名称: Tetraethylene glycol monomethyl ether
IUPAC: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
現地名: テトラエチレングリコールモノメチルエーテル
英語名: Tetraethyleneglycol monomethyl ether
分子式: C9H20O5
分子量: 208.25

名称と別名

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

名称をさらに表示

テトラエチレングリコールモノメチルエーテルテトラエチレングリコ-ルモノメチルエ-テル2,5,8,11-テトラオキサトリデカン-13-オールテトラエチルエングリコールモノメチルエーテル２，５，８，１１テトラオキサトリデカン１３オルmPEG4-アルコールメチルテトラグリコールポリエチレングリコール（重合度4，5）モノメチルエーテルMTeGHO-(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

データベース識別子

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

物性

構造計算による物性

XLogP: -1
極性表面積: 57.2 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 11
重原子数: 14
形式電荷: 0
複雑度: 99.2

実験および物理化学的性質

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

物理化学的性質

沸点: 158 · 158-160 °C (5 mmHg)
比重(密度): 1.045 g/mL · 1.045 g/mL at 25 °C
蒸気圧: 0.1 Pa · 0.1Pa at 20℃
屈折率: 1.444 · 1.444-1.446
闪点: 110 °C · >110°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Soluble in DMSO
外見: 液体
酸解離定数(Pka): 14.36 · 14.36±0.10(Predicted)
色: 無色透明～ごくわずかに黄色
水溶解度: 999 · 水溶性 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℃
CAS データベース: 23783 · 23783-42-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,5,8,11-Tetraoxatridecan-13-ol (23783-42-8)

化学的性質

化学的特性CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

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

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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

安全と保護具

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

First Aid Measures · 4 件

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.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity Summary · 2 件

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 · 2 件

Redness.

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29094990
化審法: (7)-97
消防法: 危-4-3-III
safety_code: 24/25-22
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

Plastics Product Manufacturing

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

応用分野

用途自動車のブレーキ

使用2,5,8,11-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.