基本情報
- 標準SMILES
CCOCCOCCOC- InChIKey
CNJRPYFBORAQAU-UHFFFAOYSA-N- 分子式
- C7 H16 O3
- 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
- 1-Ethoxy-2-(2-methoxyethoxy)ethane
- IUPAC
- 1-(2-ethoxyethoxy)-2-methoxyethane
- 現地名
- 1-エトキシ-2-(2-メトキシエトキシ)エタン
- 英語名
- Diethylene glycol ethyl methyl ether
- 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
1002-67-1- PubChem CID
- 13847
- DTXSID
DTXSID80883636- UNII
- LF64ICW5Y3
- EC Number
- 213-690-5
- Nikkaji
- J49.868H
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 27.7 Ų
- 水素結合供与体数
- 0
- 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
物理化学的性質
- 融点
- -72 °C · -72°C
- 沸点
- 208.81 °C · 208.81°C (rough estimate)
- 比重(密度)
- 1.01 · 1.0100 (rough estimate)
- 蒸気圧
- 2.1 Pa · 2.1Pa at 25℃
- 屈折率
- 1.408 · 1.4080-1.4120
- 闪点
- 82 °C · 82°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 76 g/L · 76 g/L
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 1000 g/L · 1000g/L at 20℃
- InChI
- InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3
- InChIKey
- CNJRPYFBORAQAU-UHFFFAOYSA-N
- SMILES
- C(OCC)COCCOC
- LogP
- -0.1 at · -0.1 at 20℃
- CAS データベース
- 1002 · 1002-67-1(CAS DataBase Reference)
- EPAの化学物質情報
- Diethylene glycol ethyl methyl ether (1002-67-1)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 82.9% (300 of 362) of all reports.
Warning
H319 (11.6%): 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 362 reports by companies from 6 notifications to the ECHA C&L Inventory.
Danger
危険有害性情報
Regulatory Information
Chemical: Ethane, 1-ethoxy-2-(2-methoxyethoxy)-
Ethane, 1-ethoxy-2-(2-methoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1-ethoxy-2-(2-methoxyethoxy)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19407
1-Ethoxy-2-(2-methoxyethoxy)ethane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Irrit. 2 (11.6%)
Flammable liquids - Category 4
安全データ
- wgk
- WGK 2 water endangering
- tsca
- TSCA listed
- rtecs
- KN9650000
- ridadr
- 3271
- 毒性
- LD50 orally in Rabbit: 6000 mg/kg LD50 dermal Rabbit 6500 mg/kg
- hs_code
- 2909 19 90
- 化審法
- (7)-1321
- 消防法
- 危-4-2-III
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
Printing and Related Support Activities
Ethane, 1-ethoxy-2-(2-methoxyethoxy)-: ACTIVE
応用分野
説明Diethylene glycol ethyl methyl ether (DEGEME) is an aromatic hydrocarbon that has a carbonyl group. It is used in the production of polyurethane elastomers and as a solvent for nitrocellulose and other coatings. DEGEME has been detected in the environment, food, and cosmetics at low levels. The detection sensitivity of DEGEME is very high, making it useful for detecting other substances such as glycol ethers, fatty acids, aliphatic hydrocarbons, and cross-linking agents. Diethylene glycol ethyl methyl ether may be carcinogenic due to its reactive hydroxyl group and its ability to cross-link DNA.
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