CAS 75238-29-8 Methyl 3,5-dihydroxy-4-methylbenzoate (HCID 11458051)

基本情報

CAS: 75238-29-8
標準SMILES: COC(=O)c1cc(O)c(C)c(O)c1
InChIKey: YVVWRFQRKJIERW-UHFFFAOYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol
単同位体質量: 182.0579088

名称と識別子

優先名称: Methyl 3,5-dihydroxy-4-methylbenzoate
IUPAC: methyl 3,5-dihydroxy-4-methylbenzoate
英語名: Methyl 3,5-dihydroxy-4-methylbenzoate
分子式: C9H10O4
分子量: 182.17

名称と別名

75238-29-8METHYL 3,5-DIHYDROXY-4-METHYLBENZOATEDTXSID80466468RefChem:354570DTXCID70417287834-734-53,5-DIHYDROXY-4-METHYLBENZOIC ACID METHYL ESTERMETHYL3,5-DIHYDROXY-4-METHYLBENZOATE3,5-Dihydroxy-4-methylbenzoic acid methyl ester, 95%Benzoic acid, 3,5-dihydroxy-4-methyl-, methyl esterMethyl 3,5-dihydroxy-4-methyl-benzoateSCHEMBL1919075

名称をさらに表示

3,5-Dihydroxy-p-toluic acid methyl ester (COOCH3=1)

YVVWRFQRKJIERW-UHFFFAOYSA-NAKOS006274623FD67717MS-9829Methyl 3, 5-dihydroxy-4-methylbenzoateEN300-118219G197663,5-Dihydroxy-4-methyl-benzoic acid methyl ester

データベース識別子

CAS: 75238-29-8
PubChem CID: 11458051
DTXSID: DTXSID80466468
EC Number: 834-734-5
Nikkaji: J1.919.973H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 66.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 180

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.