2-メトキシベンゼン-1-プロパノール

3-(2-Methoxy-phenyl)-propan-1-ol

HCID 254958

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10493-37-5
標準SMILES: COc1ccccc1CCCO
InChIKey: KCJSIKPCRQDRNX-UHFFFAOYSA-N
分子式: C10H14O2
平均分子量: 166.22 g/mol
単同位体質量: 166.09937969

名称と識別子

優先名称: 3-(2-Methoxy-phenyl)-propan-1-ol
IUPAC: 3-(2-methoxyphenyl)propan-1-ol
現地名: 2-メトキシベンゼン-1-プロパノール
英語名: 3-(2-Methoxy-phenyl)-propan-1-ol
分子式: C10H14O2
分子量: 166.22

名称と別名

3-(2-Methoxy-phenyl)-propan-1-olRefChem:491119634-639-73-(2-methoxyphenyl)propan-1-ol10493-37-5Benzenepropanol, 2-methoxy-2-methoxybenzenepropanol3-(2-Methoxyphenyl)-1-propanol3-Guaiacyl propanol1-Propanol, 3-(o-methoxyphenyl)-MFCD001971083-(2-methoxyphenyl)propanol

名称をさらに表示

2-メトキシベンゼン-1-プロパノール3-(2-メトキシフェニル)-1-プロパノール3-(2-メトキシフェニル)プロパン-1-オールNSC1055192-Methoxybenzene-1-propanol

3-o-Methoxyphenylpropan-1-ol3-o-MethoxyphenNSC798822-MethoxyphenylpropanolSCHEMBL80578CHEMBL82752SCHEMBL5610819SCHEMBL30118916

データベース識別子

CAS: 10493-37-5
PubChem CID: 254958
DTXSID: DTXSID10292035
ChEMBL: CHEMBL82752
EC Number: 634-639-7
Nikkaji: J129.330C

物性

構造計算による物性

XLogP: 2.3
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 114

実験および物理化学的性質

Kovats Retention Index1454

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): 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)

Aggregated GHS information provided per 40 reports by companies from 3 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.