CAS 69064-46-6 Dodec-2-yn-1-ol (HCID 1712322)

基本情報

CAS: 69064-46-6
標準SMILES: CCCCCCCCCC#CCO
InChIKey: SOUKGGXCKPWFMZ-UHFFFAOYSA-N
分子式: C12H22O
平均分子量: 182.3 g/mol
単同位体質量: 182.16706532

名称と識別子

優先名称: Dodec-2-yn-1-ol
IUPAC: dodec-2-yn-1-ol
英語名: 2-DODECYN-1-OL
分子式: C12H22O
分子量: 182.3

名称と別名

dodec-2-yn-1-olRefChem:590081830-773-72-dodecyn-1-ol69064-46-6MFCD06408013SCHEMBL1535622SCHEMBL7341770DTXSID20364833SOUKGGXCKPWFMZ-UHFFFAOYSA-NALBB-037077UCA06446

名称をさらに表示

SBB089948AKOS006295600CS-0232341EN300-126926G28534AB-131/42301173Z1198168660

データベース識別子

CAS: 69064-46-6
PubChem CID: 1712322
DTXSID: DTXSID20364833
EC Number: 830-773-7
Nikkaji: J673.418I

物性

構造計算による物性

XLogP: 4.4
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: 7
重原子数: 13
形式電荷: 0
複雑度: 149

物理化学的性質

融点: 18.8 °C · 18.8°C (estimate)
沸点: 285.73 °C · 285.73°C (rough estimate)
比重(密度): 0.853 · 0.8530 (estimate)
屈折率: 1.4535 · 1.4535 (estimate)
酸解離定数(Pka): 12.99 · 12.99±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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)

Aggregated GHS information provided per 2 reports by companies from 1 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.