5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

HCID 226702CAS 22825-11-2

基本情報

標準SMILES: COc1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIKey: ZHZCSOFYUGAJBH-UHFFFAOYSA-N
分子式: C16H24O
平均分子量: 232.36 g/mol
単同位体質量: 232.18271539

名称と識別子

優先名称: 5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

名称と別名

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene22825-11-2DTXSID50280552RefChem:303643DTXCID50231706660-980-6NSC17414SCHEMBL9217192ZHZCSOFYUGAJBH-UHFFFAOYSA-N1,1,4,4,7-pentamethyl-5-methoxy-1,2,3,4-tetrahydronaphthaleneNSC-17414AKOS024325149

名称をさらに表示

1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene

データベース識別子

CAS: 22825-11-2
PubChem CID: 226702
DTXSID: DTXSID50280552
EC Number: 660-980-6

物性

構造計算による物性

XLogP: 5.4
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 279

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.