cis-4-((t-Butyldimethylsilyl)oxy)cyclohexan-1-ol

HCID 554539CAS 103202-62-6

基本情報

標準SMILES: CC(C)(C)[Si](C)(C)OC1CCC(O)CC1
InChIKey: XGCCUZRKNCUVJK-UHFFFAOYSA-N
分子式: C12H26O2Si
平均分子量: 230.42 g/mol
単同位体質量: 230.1702066

名称と識別子

優先名称: cis-4-((t-Butyldimethylsilyl)oxy)cyclohexan-1-ol
IUPAC: 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
英語名: cis-4-tert-Butyldimethylsilyloxycyclohexanol
分子式: C12H26O2Si
分子量: 230.42

名称と別名

103202-62-6trans-4-[t-Butyl(dimethyl)silyl]oxycyclohexanolcis-4-[(t-Butyldimethylsilyl)oxy]cyclohexan-1-oltrans-4-(t-Butyl(dimethyl)silyl)oxycyclohexanolcis-4-((t-Butyldimethylsilyl)oxy)cyclohexan-1-olRefChem:577342894-587-8974-134-1126931-29-14-((tert-Butyldimethylsilyl)oxy)cyclohexanol103202-63-7trans-4-[tert-butyl(dimethyl)silyl]oxycyclohexanol

名称をさらに表示

(1s,4s)-4-((tert-butyldimethylsilyl)oxy)cyclohexan-1-olcis-4-tert-Butyldimethylsilyloxycyclohexanol4-(TERT-BUTYLDIMETHYLSILYLOXY)-1-CYCLOHEXANOLcis-(1s,4s)-4-((Tert-butyldimethylsilyl)oxy)cyclohexan-1-olCyclohexanol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-

Cyclohexanol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-cis-4-((tert-Butyldimethylsilyl)oxy)cyclohexan-1-ol4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-olMFCD13190776MFCD29052535MFCD308029894-(tert-Butyl-dimethyl-silanyloxy)-cyclohexanolcis-4-[(tert-butyldimethylsilyl)oxy]cyclohexan-1-ol

データベース識別子

CAS: 103202-62-6、103202-63-7、126931-29-1
PubChem CID: 554539
DTXSID: DTXSID90339210
EC Number: 894-587-8、974-134-1
Nikkaji: J2.754.006F

物性

構造計算による物性

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: 3
重原子数: 15
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 47.6 · 47.6-49.4 °C
沸点: 265.7 · 265.7±33.0 °C(Predicted)
比重(密度): 0.92 · 0.92±0.1 g/cm3(Predicted)
貯蔵温度: 0 · Store at 0-8 °C
酸解離定数(Pka): 14.98 · 14.98±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]