HCID79368

2,2,6-Trimethyl-4H-1,3-dioxin-4-one

2,2,6-trimethyl-1,3-dioxin-4-one

C7H10O3142.15 g/molCAS 5394-63-8

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IDENTITY

结构与身份

标准SMILES: CC1=CC(=O)OC(C)(C)O1
InChIKey: XFRBXZCBOYNMJP-UHFFFAOYSA-N
分子式: C7H10O3
平均分子量: 142.15 g/mol
单同位素质量: 142.06299418

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 191

PROPERTIES

实验与物化性质

Physical Description

Clear dark brown liquid; mp = 12-13 deg C; [Sigma-Aldrich MSDS]

GHS

GHS分类

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 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

Chemical: 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16365

Hazards Summary

Contains 5-10% acetone (CAS# 67-64-1); Causes no skin and moderate eye irritation in rabbits; Targets the liver and kidney; [Sigma-Aldrich MSDS] See delta-Undecalactone and Dimethoxane.

Hazard Classes and Categories

Flam. Liq. 2 (100%)；Eye Irrit. 2A (98.4%)

REGULATORY

法规信息

Regulatory Information

Chemical: 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16365

ALIASES

名称与别名

共 39 条

2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-82,2,6-Trimethyl-1,3-dioxin-4-oneMFCD000404682,2,6-trimethyl-2,4-dihydro-1,3-dioxin-4-one4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-NSC-23912,2,6-Trimethyl-1,3-dioxen-4-one2,2,6-trimethyl-[1,3]dioxin-4-oneDiketene Acetone Adduct;Benidipine Impurity 16NSC2391EINECS 226-403-3EC 226-403-3PET49NW99ASCHEMBL218538DTXSID10202230NSC 2391AKOS000120979CS-W016430

REACTIONS