2-Phenyl-1,3-dioxolane-2-methanol 分子结构式
HCID12614248

2-Phenyl-1,3-dioxolane-2-methanol

(2-phenyl-1,3-dioxolan-2-yl)methanol

C10H12O3180.2 g/molCAS 33868-51-8

IDENTITY

结构与身份

标准SMILES
OCC1(c2ccccc2)OCCO1
InChIKey
YUUFLSYPPSEURX-UHFFFAOYSA-N
分子式
C10H12O3
平均分子量
180.2 g/mol
单同位素质量
180.07864424

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
38.7 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
13
形式电荷
0
复杂度
158

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 14 条
33868-51-8(2-phenyl-1,3-dioxolan-2-yl)methanolDTXSID0012994942-Phenyl-1,3-dioxolane-2-methanolRefChem:477978DTXCID101729640841-990-11,3-Dioxolane-2-methanol, 2-phenyl-SCHEMBL1876064YUUFLSYPPSEURX-UHFFFAOYSA-NIBA86851(2-phenyl-[1,3]dioxolan-2-yl)methanolDA-25720EN300-7442110

REACTIONS

参与反应

5
HRID 548192 反应方程式

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939552B2

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HRID 548194 反应方程式

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939552B2

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HRID 955786 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1228205 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID 1468756 反应方程式

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006232B2

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