HCID10383

3,5-Dimethoxyphenol

C8H10O3154.16 g/molCAS 500-99-2

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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 Å²
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

Kovats Retention Index

1531

1472

2848；2858

Collision Cross Section

125.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS

GHS分类

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

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

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