4-(TRANS-4-N-プロピルシクロヘキシル)フェノール

Phenol, 4-(trans-4-propylcyclohexyl)-

HCID 3126231

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 152126-35-7
標準SMILES: CCCC1CCC(c2ccc(O)cc2)CC1
InChIKey: AHAZEMSUUYFDMM-UHFFFAOYSA-N
分子式: C15H22O
平均分子量: 218.33 g/mol
単同位体質量: 218.16706532

名称と識別子

優先名称: Phenol, 4-(trans-4-propylcyclohexyl)-
IUPAC: 4-(4-propylcyclohexyl)phenol
現地名: 4-(TRANS-4-N-プロピルシクロヘキシル)フェノール
英語名: 4-(trans-4-Propylcyclohexyl)phenol
分子式: C15H22O
分子量: 218.34

名称と別名

Phenol, 4-(trans-4-propylcyclohexyl)-RefChem:861232690-919-94-(trans-4-Propylcyclohexyl)phenol81936-33-64-(4-propylcyclohexyl)phenol83167-91-34-Propylcyclohexanephenol4-(Trans-4-n-Propylcyclohexyl)PhenolMFCD006737514-[(1S,4R)-4-PROPYLCYCLOHEXYL]PHENOL4-((1s,4r)-4-propylcyclohexyl)phenol

名称をさらに表示

4-(trans-4-プロピルシクロへキシル)フェノル4-(TRANS-4-N-プロピルシクロヘキシル)フェノールP-(TRANS-4-プロピルシクロヘキシル)フェノール4-(trans-4-プロピルシクロヘキシル)フェノール1-ヒドロキシ-4-(trans-4-プロピルシクロヘキシル)ベンゼン4‐(TRANS‐4‐プロピルシクロヘキシル)フェノール3PCOPropylcyclohexylphenolPROPYL CYCLOHEXYL-4 PHENOLPropylcyclohexylphenol 3PCOtrans-4-Propyl Cyclohexyl Phenoltrans-4-(4n-Propylcyclohexyl)phenol4-Trans-(4-propylcyclohexyl) Phenol

4-(Trans-4-propylcyclohexyl) phenylacetylenep-(trans-4-propylcyclohexyl)phenolTrans-4-(4-Propylcyclohexyl)phenol2-cyclohexyl-4-propylphenolSCHEMBL1119887SCHEMBL1531852SCHEMBL98156834-(4-n-propylcyclohexyl)-phenol

データベース識別子

CAS: 152126-35-7、81936-33-6
PubChem CID: 3126231
EC Number: 690-919-9
Nikkaji: J1.629.617A

物性

構造計算による物性

XLogP: 5.6
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 186

物理化学的性質

融点: 138 °C · 138°C(lit.)
沸点: 339.8 · 339.8±21.0 °C(Predicted)
比重(密度): 0.978 · 0.978±0.06 g/cm3(Predicted)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 10.21 · 10.21±0.30(Predicted)
色: White to Light yellow
水溶解度: 125 μg/L · 125μg/L at 20℃
InChI: InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3/t12-,13-
InChIKey: AHAZEMSUUYFDMM-JOCQHMNTSA-N
SMILES: C1(O)=CC=C([C@@H]2CC[C@@H](CCC)CC2)C=C1
LogP: 5 at · 5 at 40℃
CAS データベース: 81936 · 81936-33-6(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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.