3-アミノ-2,6-ジメチルフェノール

3-Amino-2,6-dimethylphenol

HCID 81477

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6994-64-5
標準SMILES: Cc1ccc(N)c(C)c1O
InChIKey: XSBKXUJEVYHSNO-UHFFFAOYSA-N
分子式: C8H11NO
平均分子量: 137.18 g/mol
単同位体質量: 137.08406397

名称と識別子

優先名称: 3-Amino-2,6-dimethylphenol
IUPAC: 3-amino-2,6-dimethylphenol
現地名: 3-アミノ-2,6-ジメチルフェノール
英語名: 3-amino-2,6-xylenol
分子式: C8H11NO
分子量: 137.18

名称と別名

3-amino-2,6-dimethylphenol6994-64-5UNII-KK52J0MQ7DEINECS 230-268-6KK52J0MQ7D2,6-dimethyl-3-aminophenolDTXSID80220224Phenol, 3-amino-2,6-dimethyl-2,6-XYLENOL, 3-AMINO-2,6-DIMETHYL-5-AMINOPHENOLRefChem:92865DTXCID80142715

名称をさらに表示

3-アミノ-2,6-ジメチルフェノール3-アミノ-2,6-ジメチルフェノール標準品3-amino-2,6-dimethylphenol HCl

3-AMINO-2,6-DIMETHYLPHENOL [INCI]230-268-63-Amino-2,6-xylenolMFCD09971645SCHEMBL1262002,6-dimethyl-3-amino phenol3-amino 2,6-dimethyl phenol3-amino-2,6-dimethyl phenol

データベース識別子

CAS: 6994-64-5
PubChem CID: 81477
DTXSID: DTXSID80220224
UNII: KK52J0MQ7D
EC Number: 230-268-6
Nikkaji: J266.044J

物性

構造計算による物性

XLogP: 1.6
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 116

物理化学的性質

化粧品成分の機能: ヘアカラーリング

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 2 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.