HCID88068

Methyl 3-Hydroxybenzoate

C8H8O3152.15 g/molCAS 19438-10-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cccc(O)c1
InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N
分子式: C8H8O3
平均分子量: 152.15 g/mol
单同位素质量: 152.04734411

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 144

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1415；1389；1384；1365；1429

2012

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (90%): 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 (98.3%): 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)

Aggregated GHS information provided per 60 reports by companies from 8 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

来源：PubChem

Regulatory Information

Chemical: Benzoic acid, 3-hydroxy-, methyl ester

Hazard Classes and Categories

Acute Tox. 4 (90%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.3%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: Benzoic acid, 3-hydroxy-, methyl ester

ALIASES

名称与别名

共 70 条

Methyl 3-hydroxybenzoate19438-10-9Methyl m-hydroxybenzoate3-Hydroxybenzoic acid methyl esterm-Carbomethoxyphenolm-Hydroxybenzoic acid methyl esterBenzoic acid, 3-hydroxy-, methyl esterMethyl m-oxybenzoate3-(Methoxycarbonyl)phenol3-carbomethoxyphenolBenzoic acid, m-hydroxy-, methyl esterNSC 40536569M9G3STJEINECS 243-071-5NSC-40536AI3-31869DTXSID50173071BENZOIC ACID,3-HYDROXY,METHYL ESTERRefChem:815509DTXCID8095562

REACTIONS

参与反应

252 条

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04727078

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745665B2

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