基本情報
- 標準SMILES
COCCCOCCCOC- InChIKey
KWDCKLXGUZOEGM-UHFFFAOYSA-N- 分子式
- C8H18O3
- 平均分子量
- 162.23 g/mol
- 単同位体質量
- 162.12559444
名称と識別子
- 優先名称
- 1-Methoxy-3-(3-methoxypropoxy)propane
- IUPAC
- 1-methoxy-3-(3-methoxypropoxy)propane
- 現地名
- ジプロピレングリコールジメチルエーテル
- 英語名
- Dipropylene Glycol Dimethyl Ether
- 分子式
- C8H18O3
- 分子量
- 162.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
111109-77-4、66226-74-2- PubChem CID
- 86302
- DTXSID
DTXSID90274213- ChEMBL
CHEMBL3182517- EC Number
- 404-640-5、601-045-4
- Nikkaji
- J1.781.508C
物性
構造計算による物性
- XLogP
- 0.5
- 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
- 8
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 58.4
実験および物理化学的性質
Physical Description
Liquid; Other Solid; Liquid; CBI
Clear colorless liquid; [Sigma-Aldrich MSDS] Mild odor; [Dow Chemical MSDS]
物理化学的性質
- 融点
- -80 °C · -80°C
- 沸点
- 175 °C · 175 °C(lit.)
- 比重(密度)
- 0.903 g/mL · 0.903 g/mL at 20 °C(lit.)
- 蒸気圧
- 0.8 hPa · 0.8 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.408
- 闪点
- 149 °F · 149 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 526 g/リットル · 526g/リットル
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 比重
- 0.907 · 0.907
- 爆発限界(explosive limit)
- 0.77 · 0.77-5.57%(V)
- 化粧品成分の機能
- 溶媒
- InChI
- 1S/C8H18O3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3
- InChIKey
- FWZJTQPVXZIABW-UHFFFAOYSA-N
- SMILES
- COCC(C)OC(C)COC
- LogP
- 0.434 · 0.434 (est)
- CAS データベース
- 111109 · 111109-77-4(CAS DataBase Reference)
- EPAの化学物質情報
- Propane, oxybis[methoxy- (111109-77-4)
化学的性質
化学的特性Clear colorless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 35.6% (339 of 953) of reports.
Warning
H319 (64.4%): 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 953 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (272 of 272) of all reports.
危険有害性情報
Regulatory Information
Chemical: Propane, oxybis[methoxy-
Propane, oxybis[methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, oxybis[methoxy- 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: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/15643
Dipropylene glycol dimethyl ether: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; [Sigma-Aldrich MSDS] May cause moderate eye irritation; Demonstrates limited potential to cause skin sensitization; Animal studies have shown effects on the adrenal gland, kidney, and liver, fetal toxicity at doses maternally toxic, and no evidence of teratogenicity, reproductive toxicity, or mutagenicity; [Dow Chemical MSDS] See Monoglyme.
Hazard Classes and Categories
Eye Irrit. 2 (64.4%)
Not Classified
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TZ5487500
- ridadr
- NA 1993 / PGIII
- 毒性
- LD50 orally in Rabbit: 3300 mg/kg LD50 dermal Rat > 2000 mg/kg
- hs_code
- 29091990
- risk_code
- 36/37/38
- 化審法
- (7)-1321
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 23-24/25-26-36
- 自然発火温度
- 165 °C DIN 51794
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Propane, oxybis[methoxy-: ACTIVE
応用分野
用途有機合成原料。
説明Dipropylene Glycol Dimethyl Ether is unique among propylene oxide-based solvents in that it is aprotic (no hydroxyl functionality). As a result, it is relatively inert and can be used in protonsensitive systems such as water-based polyurethane coatings. Dipropylene Glycol Dimethyl Ether can also be used as an azeotroping solvent for esterification reactions. And with its excellent stability, solvency, and coupling performance, Dipropylene Glycol Dimethyl Ether provides excellent compatibility with a wide range of agricultural formulations and cleaning products.
使用Dipropylene glycol diMethyl ether can be used as aprotic solvent for use on proton-sensitive systems such as water-based polyurethane coatings.
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補足説明
定義本品は、次の化学式で表される有機化合物である。
関連反応
関連ノート
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