5-Hydroxy-1-tetralone 分子结构式
HCID119921

5-Hydroxy-1-tetralone

5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H10O2162.18 g/molCAS 28315-93-7

IDENTITY

结构与身份

标准SMILES
O=C1CCCc2c(O)cccc21
InChIKey
YPPZCRZRQHFRBH-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
2.1
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
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 14.3% (1 of 7) of reports.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): 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)

Aggregated GHS information provided per 7 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 7 reports by companies.;There are 3 notifications provided by 6 of 7 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
Regulatory Information

1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Irrit. 2 (85.7%);Eye Irrit. 2A (85.7%);STOT SE 3 (71.4%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 61 条
5-Hydroxy-1-tetralone28315-93-71(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-3,4-Dihydro-5-hydroxy-1(2H)-naphthalenoneDTXSID00577008605DD71BSDTXCID40314891,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthaleneRefChem:536157248-958-05-hydroxy-3,4-dihydro-2H-naphthalen-1-one5-HYDROXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE1-Tetralon-5-ol5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONEMFCD000016935-hydroxytetralone5-hydroxy-2,3,4-trihydronaphthalen-1-one5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone5-HYDROXYTETRALIN-1-ONE1,2,3,4-Tetrahydro-5-hydroxynaphthalen-1-one

REACTIONS

参与反应

69
HRID 22085 反应方程式

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05426227

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HRID 22086 反应方程式

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05426227

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HRID 63079 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447045B2

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HRID 63080 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447045B2

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HRID 103192 反应方程式

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

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HRID 123119 反应方程式

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

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HRID 131645 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384974B2

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HRID 276933 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355640B1

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