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

HCID 17750944CAS 4677-18-3

基本情報

標準SMILES
OCCC1CCOCC1
InChIKey
XZXZZACRGBBWTQ-UHFFFAOYSA-N
分子式
C7H14O2
平均分子量
130.18 g/mol
単同位体質量
130.09937969

名称と識別子

優先名称
2-(Oxan-4-yl)ethan-1-ol
IUPAC
2-(oxan-4-yl)ethanol
英語名
2-(Tetrahydro-pyran-4-yl)-ethanol
分子式
C7H14O2
分子量
130.18

名称と別名

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-ylethanol
名称をさらに表示
Tetrahydro-pyran-4-ethanolTetrahydro-2H-pyran-4-ethanol
2-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

データベース識別子

CAS
4677-18-3
PubChem CID
17750944
DTXSID
DTXSID20590791
EC Number
695-676-2

物性

構造計算による物性

XLogP
0.5
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
2
重原子数
9

物理化学的性質

沸点
226 ℃ · 226℃
比重(密度)
0.981 · 0.981
闪点
95 ℃ · 95℃
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
15.06 · 15.06±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesFlam. 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%)

安全データ

ridadr
UN1987
hs_code
2932990090
risk_code
10-21/22-36/37/38-41-37/38
hazard_code
Xi
safety_code
16-23-26-36/37/39-39

化学と産業

応用分野

使用2-(Tetrahydropyran-4-yl)-ethanol is mainly used as an intermediate in organic synthesis, especially in the field of pharmaceutical manufacturing.

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

関連反応

27 件

関連ノート

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