CAS 80858-95-3 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (HCID 12790794)

基本情報

CAS: 80858-95-3
標準SMILES: COc1ccc2c(c1)CCCC2C(=O)O
InChIKey: WDLWRQYLECGUNU-UHFFFAOYSA-N
分子式: C12H14O3
平均分子量: 206.24 g/mol
単同位体質量: 206.0942943

名称と識別子

優先名称: 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
IUPAC: 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
英語名: 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
分子式: C12H14O3
分子量: 206.24

名称と別名

6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid80858-95-3RefChem:543540841-352-2MFCD146022761-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-SCHEMBL1844672WDLWRQYLECGUNU-UHFFFAOYSA-N6-methoxytetralin-1-carboxylic acidFDA85895AKOS010488467AS-43742

名称をさらに表示

DB-102868CS-0233186EN300-131604F651466Z7923772246-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylicacid

データベース識別子

CAS: 80858-95-3
PubChem CID: 12790794
EC Number: 841-352-2

物性

構造計算による物性

XLogP: 2.3
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 239

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

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.