2-(Oxan-4-yl)ethan-1-ol 分子结构式
HCID17750944

2-(Oxan-4-yl)ethan-1-ol

2-(oxan-4-yl)ethanol

C7H14O2130.18 g/molCAS 4677-18-3

IDENTITY

结构与身份

标准SMILES
OCCC1CCOCC1
InChIKey
XZXZZACRGBBWTQ-UHFFFAOYSA-N
分子式
C7H14O2
平均分子量
130.18 g/mol
单同位素质量
130.09937969

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
29.5 Ų
氢键供体
1
氢键受体
2
可旋转键
2
重原子
9
形式电荷
0
复杂度
67

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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 3 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

来源:PubChem
Hazard Classes and Categories

Flam. Liq. 3 (66.7%);Acute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

ALIASES

名称与别名

共 38 条
4677-18-32-(OXAN-4-YL)ETHAN-1-OLDTXSID20590791RefChem:254482DTXCID10541555695-676-22-(Tetrahydro-2H-pyran-4-yl)ethanol2-(Tetrahydro-pyran-4-yl)-ethanol2-(oxan-4-yl)ethanolMFCD00129068(4-HYDROXYETHYL)TETRAHYDROPYRAN2-Tetrahydropyran-4-ylethanol2-Tetrahydro-2H-pyran-4-ylethanol4-(HYDROXYETHYL)TETRAHYDROPYRAN4-(2-Hydroxyethyl)tetrahydropyran4-Hydroxyethyltetrahydropyran2-(Tetrahydro-2H-pyran-4-yl)ethanol; 2-(Tetrahydropyran-4-yl)ethanol; 4-(2-Hydroxyethyl)tetrahydropyran2-(4-Oxanyl)ethanol2H-PYRAN-4-ETHANOL, TETRAHYDRO-2-(Tetrahydro-2H-pyran-4-yl)ethan-1-ol

REACTIONS

参与反应

27
HRID 78483 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 100004 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 183516 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 227374 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560481B2

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HRID 227375 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560481B2

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HRID 331325 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877747B2

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HRID 384470 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367702B2

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HRID 553589 反应方程式

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08048899B2

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