Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OCCO
- InChIKey
- BDLXTDLGTWNUFM-UHFFFAOYSA-N
- 分子式
- C6H14O2
- 平均分子量
- 118.17 g/mol
- 单同位素质量
- 118.09937969
COMPUTED
结构计算性质
- XLogP
- 0.2
- 极性表面积
- 29.5 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 54
GHS
GHS分类
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.
HAZARDS
危害信息
Regulatory Information
Status: Active Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30055；Status: Active Update: 14-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8735
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)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30055；Status: Active Update: 14-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8735
ALIASES
名称与别名
2-tert-ButoxyethanolEthylene glycol mono-tert-butyl ether2-(Tert-Butoxy)Ethan-1-OlRefChem:462307456-140-1616-267-77580-85-0Swasolve ETBEthanol, 2-(1,1-dimethylethoxy)-tert-Butyl CellosolveETHYLENEGLYCOLMONO-TERT-BUTYLETHER2-(1,1-Dimethylethoxy)ethanol2-[(2-methylpropan-2-yl)oxy]ethanolEthylene glycol mono-tert-buthyl etherEthanol, 2-tert-butoxy-2-(tert-butoxy)ethanol2-t-butoxyethanolMFCD0005900463663-09-2BRN 1732678
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看
uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07381719B2
查看
uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560463B2
查看
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看
uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05872117
查看
uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08372842B2
查看
uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531557B2
查看