基本情報
- CAS
6881-94-3- 標準SMILES
CCCOCCOCCO- InChIKey
DJCYDDALXPHSHR-UHFFFAOYSA-N- 分子式
- C7H16O3
- 平均分子量
- 148.2 g/mol
- 単同位体質量
- 148.10994437
名称と識別子
- 優先名称
- Diethylene glycol monopropyl ether
- IUPAC
- 2-(2-propoxyethoxy)ethanol
- 現地名
- 2-(2-プロポキシエトキシ)エタノール
- 英語名
- 2-(Propoxyethoxy)ethanol
- 分子式
- C7H16O3
- 分子量
- 148.2
名称と別名
名称をさらに表示
データベース識別子
- CAS
6881-94-3- PubChem CID
- 81313
- DTXSID
DTXSID1027639- UNII
- T8K0B3U2HC
- EC Number
- 229-985-7
- Nikkaji
- J116.323J
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 38.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 56.8
実験および物理化学的性質
Physical Description
Liquid
Colorless liquid; [Eastman Chemical MSDS]
物理化学的性質
- 融点
- -15.45 °C · -15.45°C (estimate)
- 沸点
- 212 · 212-216 °C(lit.)
- 比重(密度)
- 0.969 g/mL · 0.969 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.435(lit.)
- 闪点
- 210 °F · 210 °F
- 溶解性
- water: soluble
- 酸解離定数(Pka)
- 14.37 · 14.37±0.10(Predicted)
- 水溶解度
- water: soluble
- InChI
- 1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3
- InChIKey
- DJCYDDALXPHSHR-UHFFFAOYSA-N
- SMILES
- CCCOCCOCCO
- EPAの化学物質情報
- 2 · Ethanol, 2-(2-propoxyethoxy)- (6881-94-3)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 10.4% (5 of 48) of reports.
Warning
H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Ethanol, 2-(2-propoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(2-propoxyethoxy)- 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)
Ethanol, 2-(2-propoxyethoxy)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Acute toxicity in rodents includes CNS depression but no systemic toxicity in inhalation studies using less than continuous exposure regimens; Hemolysis in sub-chronic dermal studies and kidney and liver toxicity with some hematological changes in sub-chronic oral studies; No reproductive toxicity except one study showing testicular toxicity at very high doses; [Reference #1] May form peroxides; An eye irritant; [Eastman Chemical MSDS] See GLYCOL ETHERS.
毒性情報
安全データ
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
Used as a solvent in coatings, retarder solvent for inks, coalescing aid in paints, in automotive coatings, plastic coatings, and household cleaners; [Reference #1] Used as a solvent; [Eastman Chemical MSDS]
Painting (Solvents) [Category: Paint]
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2-(2-propoxyethoxy)-: ACTIVE
応用分野
一般的な説明Diethylene glycol monopropyl ether (2-(2-Propoxyethoxy)ethanol) is one of the volatile organic compounds that is assumed to contribute to the aroma of Khao Dawk Mali 105 brown rice. Various thermophysical properties of diethylene glycol monopropyl ether have been derived.
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