3,4-Bis(benzyloxy)benzaldehyde 分子结构式
HCID79526

3,4-Bis(benzyloxy)benzaldehyde

3,4-bis(phenylmethoxy)benzaldehyde

C21H18O3318.4 g/molCAS 5447-02-9

IDENTITY

结构与身份

标准SMILES
O=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey
XDDLXZHBWVFPRG-UHFFFAOYSA-N
分子式
C21H18O3
平均分子量
318.4 g/mol
单同位素质量
318.12559443

COMPUTED

结构计算性质

已同步
XLogP
4.3
极性表面积
35.5 Ų
氢键供体
0
氢键受体
3
可旋转键
7
重原子
24
形式电荷
0
复杂度
358

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.

Warning

H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 6 of 7 reports by companies.;There is 1 notification provided by 1 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

Status: Active Update: 08-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31323

Hazard Classes and Categories

Muta. 2 (14.3%);Aquatic Chronic 1 (14.3%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Active Update: 08-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31323

ALIASES

名称与别名

共 45 条
3,4-Dibenzyloxybenzaldehyde5447-02-93,4-Bis(benzyloxy)benzaldehyde3,4-bis(phenylmethoxy)benzaldehydeF36FJ659RXNSC 16747NSC-16747PROTOCATECHUALDEHYDE DIBENZYL ETHERBenzaldehyde, 3,4-dibenzyloxy-XDDLXZHBWVFPRG-UHFFFAOYSA-DTXSID10202871EINECS 226-662-23,4-DI(BENZYLOXY)BENZALDEHYDE.ALPHA.,.ALPHA.'-DIPHENYLVERATRALDEHYDERefChem:90980DTXCID40125362ALPHA,ALPHA'-DIPHENYLVERATRALDEHYDE226-662-2InChI=1/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2XDDLXZHBWVFPRG-UHFFFAOYSA-N

REACTIONS

参与反应

21
HRID 2910 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731344

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HRID 275877 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06352982B1

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HRID 275878 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06352982B1

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HRID 302232 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 403010 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08742139B2

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HRID 677291 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 866047 反应方程式

uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05569786

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HRID 866048 反应方程式

uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05569786

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