HCID20134203

Methyl 4-formyl-2-methylbenzoate

C10H10O3178.18 g/molCAS 74733-23-6

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C=O)cc1C
InChIKey: LHJKZERUIPGPCK-UHFFFAOYSA-N
分子式: C10H10O3
平均分子量: 178.18 g/mol
单同位素质量: 178.06299418

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 200

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条

methyl 4-formyl-2-methylbenzoate74733-23-6RefChem:816434823-623-7MFCD22380496methyl 4-formyl-2-methyl-benzoatemethyl-p-epoxymethylbenzoateSCHEMBL497789methyl4-formyl-2-methylbenzoateLHJKZERUIPGPCK-UHFFFAOYSA-NXH0489AKOS027254958AS-40991SY128441DB-1252624-Formyl-2-methyl-benzoic Acid Methyl EsterCS-01884284-formyl-2-methyl-benzoic acid, methyl esterEN300-399611F471906

REACTIONS

参与反应

20 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08372867B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106077B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106077B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106077B2

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