1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

HCID 94834CAS 595-30-2

基本情報

標準SMILES: CC12CCC(C(=O)OC1=O)C2(C)C
InChIKey: VFZDNKRDYPTSTP-UHFFFAOYSA-N
分子式: C10H14O3
平均分子量: 182.22 g/mol
単同位体質量: 182.09429431

名称と識別子

優先名称: 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
IUPAC: 1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

名称と別名

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-4DTXSID908717811,8,8-Trimethyl-3-oxabicyclo(3.2.1)octane-2,4-dioneRefChem:196860DTXCID90819406d-Camphoric anhydride(+/-)-Camphoric acid anhydride3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-NSC4559NSC60293NSC657821

名称をさらに表示

(1R)-Camphoric anhydride(+/-)-camphoric anhydrideNSC-4559(1S)-1,8,8-TRIMETHYL-3-OXABICYCLO[3.2.1]OCTANE-2,4-DIONENSC-60293NSC-657821(-) camphoric anhydride1, 1,2,2-trimethyl-

データベース識別子

CAS: 595-30-2、595-31-3、76-32-4
PubChem CID: 94834
DTXSID: DTXSID90871781
ChEMBL: CHEMBL1978242
EC Number: 200-952-9、209-862-4
Nikkaji: J4.173D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 293

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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