反应SMILES:COc1cc(O)cc(OC)c1
HCID10383

3,5-Dimethoxyphenol

C8H10O3154.16 g/molCAS 500-99-2

IDENTITY

结构与身份

标准SMILES
COc1cc(O)cc(OC)c1
InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-N
分子式
C8H10O3
平均分子量
154.16 g/mol
单同位素质量
154.06299418

COMPUTED

结构计算性质

已同步
XLogP
1.6
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
11
形式电荷
0
复杂度
104

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1531

1472

2848;2858

Collision Cross Section

125.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

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 (99.4%): 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 162 reports by companies from 6 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
Regulatory Information

Phenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (99.4%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Phenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

ALIASES

名称与别名

共 59 条
3,5-Dimethoxyphenol500-99-2Phenol, 3,5-dimethoxy-TaxicatigeninPhloroglucinol dimethyl ether1-Hydroxy-3,5-dimethoxybenzene23UXW8136ANSC-70955DTXSID7075426phloroglucindimethyletherRefChem:4869021,3-dimethoxy-5-hydroxybenzeneDTXCID3040772207-917-7MFCD000083883 pound not5-Dimethoxyphenol3,5-dimethoxy phenolUNII-23UXW8136A35-DimethoxyphenolEINECS 207-917-7

REACTIONS

参与反应

58
HRID3687

uspto-grants-1998_03

作为反应物
HRID 3687 方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05734067

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HRID48007

uspto-grants-2004_03

作为反应物
HRID 48007 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06700013B2

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HRID49283

uspto-grants-2004_03

作为反应物
HRID 49283 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706703B2

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HRID76822

uspto-grants-2014_09

作为反应物
HRID 76822 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835659B2

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HRID76823

uspto-grants-2014_09

作为反应物
HRID 76823 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835659B2

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HRID76824

uspto-grants-2014_09

作为反应物
HRID 76824 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835659B2

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HRID76825

uspto-grants-2014_09

作为反应物
HRID 76825 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835659B2

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HRID76826

uspto-grants-2014_09

作为反应物
HRID 76826 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835659B2

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