基本情報
- CAS
7580-85-0- 標準SMILES
CC(C)(C)OCCO- InChIKey
BDLXTDLGTWNUFM-UHFFFAOYSA-N- 分子式
- C6H14O2
- 平均分子量
- 118.17 g/mol
- 単同位体質量
- 118.09937969
名称と識別子
- 優先名称
- 2-(Tert-butoxy)ethan-1-ol
- IUPAC
- 2-[(2-methylpropan-2-yl)oxy]ethanol
- 現地名
- エチレングリコールモノ-tert-ブチルエーテル
- 英語名
- ETHYLENE GLYCOL MONO-TERT-BUTYL ETHER
- 分子式
- C6H14O2
- 分子量
- 118.17
名称と別名
名称をさらに表示
データベース識別子
- CAS
7580-85-0- PubChem CID
- 24232
- DTXSID
DTXSID4073384- EC Number
- 456-140-1、616-267-7
- Nikkaji
- J49.824F
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 54
物理化学的性質
- 沸点
- 152 °C · 152 °C
- 比重(密度)
- 0 · 0,9 g/cm3
- 屈折率
- 1.416 to · 1.4160 to 1.4190
- 闪点
- 55 °C · 55°C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 水溶解度
- Completely miscible in water
- 外見
- clear liquid
- 酸解離定数(Pka)
- 14.44 · 14.44±0.10(Predicted)
- 色
- Colorless to Almost colorless
- InChI
- InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
- InChIKey
- BDLXTDLGTWNUFM-UHFFFAOYSA-N
- SMILES
- C(O)COC(C)(C)C
- CAS データベース
- 7580 · 7580-85-0
- EPAの化学物質情報
- 2 · Ethanol, 2-(1,1-dimethylethoxy)- (7580-85-0)
化学的性質
化学的特性Colorless liquid
安全と法規制
GHS分類
GHS Classification
Warning
H226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids];H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Hazard Classes and Categories
Flam. Liq. 3 (71.4%);Acute Tox. 4 (28.6%);Skin Irrit. 2 (42.9%);Eye Irrit. 2A (42.9%);STOT SE 3 (42.9%);STOT RE 2 (28.6%)
Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);Acute Tox. 3 (100%);STOT SE 3 (100%);STOT RE 1 (100%)
Flammable liquids - Category 3;Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (blood system)
法規制情報
安全データ
- rtecs
- KJ8750000
- ridadr
- 3271
- hs_code
- 2909498090
- risk_code
- 10-36/37/38
- 化審法
- (2)-2424, (7)-97
- 消防法
- 危-4-2-III
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
化学と産業
応用分野
用途塗料?シンナー?印刷インキ溶剤
使用2-(1,1-Dimethylethoxy)ethanol is used in the preparation of potent and selective NPY5 receptor antagonists. Also used in the synthesis of PDE5 inhibitors, used to block the degradative action of phosphodiesterase 5.
上流・下流製品情報
上流原料
下流製品
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