Dihexyl ether (HCID 8198)

名称と識別子

優先名称: Dihexyl ether
IUPAC: 1-hexoxyhexane
現地名: ヘキシルエーテル
英語名: DIHEXYL ETHER
分子式: C12H26O
分子量: 186.33

名称と別名

Dihexyl ether112-58-3Hexyl etherN-Hexyl etherHexane, 1,1'-oxybis-DI-N-HEXYL ETHERBis(1-hexyl)etherBis(1-hexyl) ether1,1'-Oxybis(hexane)NSC 9286EINECS 203-987-8BRN 1738177

名称をさらに表示

ヘキシルエーテル1-ヘキシルオキシヘキサンジヘキシルエーテル1,1'-オキシビスヘキサンノルマル-ヘキシルエ-テルN-ヘキシルエーテルジ-N-ヘキシルエーテルジ‐N‐ヘキシルエーテルn-hexylether,dihexylHexylEther>Ether, dihexyl1-hexoxyhexane

AI3-01454W1U07QA435NSC-9286UNII-W1U07QA435DTXSID8059421EC 203-987-84-01-00-01698 (Beilstein Handbook Reference)Dinhexyl ether

データベース識別子

CAS: 112-58-3
PubChem CID: 8198
DTXSID: DTXSID8059421
UNII: W1U07QA435
EC Number: 203-987-8
Nikkaji: J1.996H

物性

構造計算による物性

XLogP: 4.7
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 10
重原子数: 13
形式電荷: 0
複雑度: 71

実験および物理化学的性質

Vapor Pressure0.04 [mmHg]

Physical Description · 2 件

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3 件

1265；1228；1269；1269；1265；1287

1264

1367；1368；1349；1359；1368

物理化学的性質

融点: -43 °C · -43°C
沸点: 228 · 228-229 °C(lit.)
比重(密度): 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
蒸気圧: 15 Pa · 15Pa at 20℃
屈折率: 20 · n20/D 1.4204(lit.)
闪点: 173 °F · 173 °F
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水に完全に混和します。
BRN: 1738177 · 1738177
Henry's Law Constant: 2.9 · 2.9×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: BPIUIOXAFBGMNB-UHFFFAOYSA-N
SMILES: CCCCCCOCCCCCC
LogP: 4.98 · 4.98
CAS データベース: 112 · 112-58-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · Hexane, 1,1'-oxybis- (112-58-3)

化学的性質 · 1 件

化学的特性n-Hexyl ether is a colorless, stable liquid with a mild odor. It is less volatile than the lower members of the aliphatic ether group and its solubility in water is very slight. It is miscible with most organic solvents and can replace butyl ether for many similar applications. It is used as a solvent medium in chemical reactions and is a foam breaker for certain processes.

安全と法規制

GHS分類

GHS Classification · 3 件

H413 (90.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- 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)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Hazards SummaryA mild skin irritant; Causes altered sleep time (including change in righting reflex) in intravenous lethal-dose studies of mice; [RTECS] A mild skin irritant; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 3 件

n-Hexyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAquatic Chronic 4 (90.5%)

法規制情報

Regulatory Information · 3 件

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- 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)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

安全データ

wgk: 2
tsca: TSCA listed
rtecs: KN8600000
毒性: mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
hs_code: 2909.19.1800
risk_code: 66
消防法: 危-4-3-III
safety_code: 26-36/37/39
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1B
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 322,977 lb；2022: 26,455 lb；2021: 495,930 lb；2020: 257,610 lb

Industry UsesCleaning agent；Solvent

General Manufacturing Information · 2 件

Oil and Gas Drilling, Extraction, and Support activities

Hexane, 1,1'-oxybis-: ACTIVE

応用分野 · 1 件

使用Dihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS.