HCID62765

Bendiocarb phenol

2,2-dimethyl-1,3-benzodioxol-4-ol

C9H10O3166.17 g/molCAS 22961-82-6

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IDENTITY

结构与身份

标准 SMILES: CC1(C)Oc2cccc(O)c2O1
InChIKey: CSSWBRMYHJVCPZ-UHFFFAOYSA-N
分子式: C9H10O3
平均分子量: 166.17 g/mol
单同位素质量: 166.06299418

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 38.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 179

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

Bendiocarb phenol is a white crystalline solid.

White solid; [CAMEO]

Kovats Retention Index

1277

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

HAZARDS

危害信息

来源：PubChem

Regulatory Information

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary

See Bendiocarb.

Reactive Group

Ethers；Phenols and Cresols

Reactivity Profile

BENDIOCARB PHENOL is a phenol. Compounds in this group do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing agents such as hydrides, nitrides, alkali metals, and inorganic sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock.

Air and Water Reactions

Hydrolyzes rapidly in alkaline media and decomposes above 125 °C.

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Eye damage - category 1

Eye Dam. 1

REGULATORY

法规信息

来源：PubChem

Regulatory Information

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

USES

用途与制造

来源：PubChem

Uses

Principal metabolite of bendiocarb (insecticide); [HSDB]

ALIASES

名称与别名

共 32 条

Bendiocarb phenol22961-82-62,2-Dimethyl-1,3-benzodioxol-4-ol1,3-Benzodioxol-4-ol, 2,2-dimethyl-DTXSID3066845RefChem:561246DTXCID80367821,3Benzodioxol4ol, 2,2dimethyl400-900-72,2-dimethyl-2H-1,3-benzodioxol-4-ol2,2-dimethyl-1,3-dioxaindan-4-olMFCD006670102,2-dimethylbenzo[d][1,3]dioxol-4-ol2,2-Dimethyl-4-hydroxy-1,3-benzodioxoleBendiocarb-phenolRCRA waste no. U364SCHEMBL3156898XAA961822,2-Dimethyl-4-hydroxybenzodioxolaneAKOS006272815

REACTIONS