6-Methoxy-1-Indanone 分子结构式
HCID334036

6-Methoxy-1-Indanone

6-methoxy-2,3-dihydroinden-1-one

C10H10O2162.18 g/molCAS 13623-25-1

IDENTITY

结构与身份

标准SMILES
COc1ccc2c(c1)C(=O)CC2
InChIKey
UJGDLLGKMWVCPT-UHFFFAOYSA-N
分子式
C10H10O2
平均分子量
162.18 g/mol
单同位素质量
162.06807956

COMPUTED

结构计算性质

已同步
XLogP
1.6
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
1
重原子
12
形式电荷
0
复杂度
188

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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

Acute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (25%);Eye Irrit. 2A (25%);Acute Tox. 4 (50%);STOT SE 3 (25%);Aquatic Acute 1 (25%);Aquatic Chronic 1 (25%)

ALIASES

名称与别名

共 47 条
6-Methoxy-1-indanone13623-25-1DTXSID60318971RefChem:543562DTXCID50270094603-948-96-methoxy-1h-indanone6-methoxy-2,3-dihydro-1H-inden-1-one6-methoxyindan-1-one6-methoxy-2,3-dihydroinden-1-one6-methoxy-indan-1-oneMFCD000212321H-Inden-1-one, 2,3-dihydro-6-methoxy-2,3-dihydro-6-methoxyinden-1-one2,3-dihydro-6-methoxy-1h-inden-1-oneNSC 3382316-methoxyindanoneNSC3382316-methoxy-1-indanon6-methoxy-l-indanone

REACTIONS

参与反应

91
HRID 163880 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 180418 反应方程式

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

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HRID 231483 反应方程式

uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04847254

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HRID 232886 反应方程式

uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05591848

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HRID 264369 反应方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646173

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HRID 264434 反应方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646173

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HRID 264469 反应方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646173

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HRID 264472 反应方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646173

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