名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据相关文献专业数据库参考参考资料相关分类相关产品

2-羟基-4-甲基苯甲醛 | 698-27-1

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中文名称： 2-羟基-4-甲基苯甲醛

英文名称： 2-Hydroxy-4-methylbenzaldehyde

CAS No.： 698-27-1

分子式： C₈H₈O₂

分子量： 136.1479

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：2-羟基-4-甲基苯甲醛结构式

MSDS： 2-羟基-4-甲基苯甲醛MSDS

PubChem CID： 61200

价格行情： 2-羟基-4-甲基苯甲醛价格

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2-羟基-4-甲基苯甲醛的其他展现形式

相关化合物

5-甲基水杨醛

2-Hydroxy-5-methylbenzaldehyde

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3,5-二甲基-4-羟基苯甲醛

3,5-Dimethyl-4-hydroxybenzaldehyde

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2,6-二羟基苯甲醛

2,6-Dihydroxybenzaldehyde

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2,5-二羟基苯甲醛

2,5-Dihydroxybenzaldehyde

CAS No.：1194-98-5
2,4-二羟基苯甲醛

2,4-Dihydroxybenzaldehyde

CAS No.：95-01-2
2,4,6-三羟基苯甲醛

2,4,6-Trihydroxybenzaldehyde

CAS No.：487-70-7

名称和标识符

MDL	MFCD00799550
InChIKey	JODRRPJMQDFCBJ-UHFFFAOYSA-N
Inchi	1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
SMILES	O([H])C1C([H])=C(C([H])([H])[H])C([H])=C([H])C=1C([H])=O

别名信息

- 中文别名 -

2-羟基-4-甲基苯甲醛
4-甲基水杨醛
4-Methylsalicylaldehyde 4-甲基水杨醛
2,4-甲酚醛

- 英文别名 -

2-Hydroxy-4-methylbenzaldehyde
4-Methylsalicylaldehyde
2-HYDROXY-4-METHYL-BENZALDEHYDE
2-hydroxy-4-methylbenzaldehyde(SALTDATA: FREE)
2,4-Cresotaldehyde

BENZALDEHYDE, 2-HYDROXY-4-METHYL-
4-Methyl-2-hydroxybenzaldehyde
2-Formyl-5-methylphenol
4-Methylsalicyclic aldehyde
4-Methyl salicylaldehyde
JODRRPJMQDFCBJ-UHFFFAOYSA-N
9N0S26G61J
Homosalicylaldehyde, m-
FEMA No. 3697
m-Homosalicylaldehyde
m-Cresol-6-aldehyde
PubChem8154
4-methyl-salicylaldehyde
KSC495A6J
2-hydrox
2-hydroxy-4-methylbenzaldehyde

物化性质

实验特性

LogP	1.51310
PSA	37.30000
折射率	1.5470 (estimate)
水溶性	Soluble in oil, slightly soluble in water.
沸点	223°C(lit.)
熔点	60.0 to 64.0 deg-C
闪点	219.5 °C at 760 mmHg
FEMA	3697 \| 2-HYDROXY-4-METHYLBENZALDEHYDE
敏感性	Air Sensitive
密度	1.1150 (rough estimate)

计算特性

精确分子量	136.05200
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	1
同位素质量	136.052
重原子数量	10
复杂度	122
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	1.7
拓扑分子极性表面积	37.3

安全信息

符号：	GHS07
WGK Germany	3
安全说明	S26; S36
风险术语	R36/37/38
危险品标志	Xi
危险品运输编号	PG3
危害声明	H315,H319,H335
警示性声明	P261,P305+P351+P338
提示语	警告
危险类别码	R36/37/38
信号词	Warning
TSCA	Yes

国际标准相关数据

EINECS	211-813-7

海关数据

海关编码	2912499000
海关数据	中国海关编码： 2912499000 概述： 2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0% 申报要素：品名, 成分含量, 用途, 四聚甲醛报明外观 Summary： 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

海关编码

2912499000

海关数据

中国海关编码：

2912499000

概述：

2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 四聚甲醛报明外观

Summary：

2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

相关文献

1. Magnesium-mediated ortho-specific formylation and formaldoximation of phenols
Robert Aldred,Robert Johnston,Daniel Levin,James Neilan J. Chem. Soc. Perkin Trans. 1 1994 1823
2. Development of a quantitative structure–activity relationship model for predicting quantum yield of hydroxyl radical generation from organic compounds
Yue Liu,Xiaobing Chen,Jianchen Zhao,Wenjie Jin,Kun Zhang,Jiao Qu,Ya-nan Zhang,Guangchao Chen,Willie J. G. M. Peijnenburg Environ. Sci.: Processes Impacts 2023 25 66
3. Tropones. Part I. The action of alkali on 2-halogenotropones
E. J. Forbes,D. C. Warrell,W. J. Fry J. Chem. Soc. C 1967 1693
4. A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands
Emma V. Puttock,Jack D. Fradgley,Dmitry S. Yufit,J. A. Gareth Williams Dalton Trans. 2019 48 15012
5. Formula index
J. Chem. Soc. 1934 2056
6. Iridium(iii)–Cp*-(imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol analogues as hypoxia active, GSH-resistant cancer cytoselective and mitochondria-targeting cancer stem cell therapeutic agents
Binoy Kar,Shanooja Shanavas,Apoorva H. Nagendra,Utpal Das,Nilmadhab Roy,Sudhindra Pete,Ajay Sharma S,Sourav De,Ashok Kumar S K,Seshu Vardhan,Suban K. Sahoo,Debashis Panda,Sudheer Shenoy,Bipasha Bose,Priyankar Paira Dalton Trans. 2022 51 5494
7. Light-induced and related reactions of quinones. Part X. Further studies with hydroxymethyl-, vinyl-, and (2-ethoxycarbonylethyl)-1,4-benzoquinones
J. Malcolm Bruce,Arshad-Ul-Haq Chaudhry,Keith Dawes J. Chem. Soc. Perkin Trans. 1 1974 288
8. Light-induced and related reactions of quinones. Part X. Further studies with hydroxymethyl-, vinyl-, and (2-ethoxycarbonylethyl)-1,4-benzoquinones
J. Malcolm Bruce,Arshad-Ul-Haq Chaudhry,Keith Dawes J. Chem. Soc. Perkin Trans. 1 1974 288
9. Luminescent anticancer ruthenium(ii)-p-cymene complexes of extended imidazophenanthroline ligands: synthesis, structure, reactivity, biomolecular interactions and live cell imaging
Bidisha Sarkar,Ashaparna Mondal,Yukti Madaan,Nilmadhab Roy,Anbalagan Moorthy,Yung-Chih Kuo,Priyankar Paira Dalton Trans. 2019 48 12257
10. 346. A method for preparing secondary amines and Schiff's bases from phenols and hexamine
J. C. Duff,V. I. Furness J. Chem. Soc. 1951 1512

专业数据库参考

PubChemId	61200

参考资料

Reaxys RN	2040674
Beilstein	211-813-7

2-羟基-4-甲基苯甲醛 | 698-27-1

中国海关编码：

概述：

申报要素：

Summary：

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