アダマンタン-2-カルボン酸

2-Adamantanecarboxylic acid

HCID 303802CAS 15897-81-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)C1C2CC3CC(C2)CC1C3
InChIKey: UNGMXQVELCJRIH-UHFFFAOYSA-N
分子式: C11H16O2
平均分子量: 180.24 g/mol
単同位体質量: 180.11502975

名称と識別子

優先名称: 2-Adamantanecarboxylic acid
IUPAC: adamantane-2-carboxylic acid
現地名: アダマンタン-2-カルボン酸
英語名: 2-Adamantanecarboxylic acid
分子式: C11H16O2
分子量: 180.24

名称と別名

15897-81-12-Adamantanecarboxylic acidRefChem:462880822-627-6Adamantane-2-carboxylic acidTricyclo[3.3.1.13,7]decane-2-carboxylic acidMFCD02738135Admantane-2-carboxylic acidAdamantane-2-carboxylicacid2-adamantanecarboxylate2-adamantyl carboxylic acid2-adamantane carboxylic acid

名称をさらに表示

2-アダマンタンカルボン酸アダマンタン-2-カルボン酸24. 2-adamantanecarboxylic acidAdamantane-2-carboxylic acid,95%

Oprea1_327580SCHEMBL160953SCHEMBL384602F1928-0025SCHEMBL7401851SCHEMBL7978669SCHEMBL16698251SCHEMBL19859959

データベース識別子

CAS: 15897-81-1
PubChem CID: 303802
EC Number: 822-627-6
Nikkaji: J82.460G

物性

構造計算による物性

XLogP: 2.8
極性表面積: 37.3 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: 1
重原子数: 13
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 143 · 143-144.6 °C
沸点: 297.1 · 297.1±8.0 °C(Predicted)
比重(密度): 1.188 · 1.188±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.73 · 4.73±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

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

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.