1,4-ジオキサスピロ[4.5]デカン-8-カルボン酸メチル

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

HCID 10845708CAS 26845-47-6

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C1CCC2(CC1)OCCO2
InChIKey: XUTIURCKMWHHLX-UHFFFAOYSA-N
分子式: C10H16O4
平均分子量: 200.23 g/mol
単同位体質量: 200.10485899

名称と識別子

優先名称: Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
IUPAC: methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
現地名: 1,4-ジオキサスピロ[4.5]デカン-8-カルボン酸メチル
英語名: methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
分子式: C10H16O4
分子量: 200.23

名称と別名

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate26845-47-6DTXSID00445699Methyl 1,4-dioxaspiro(4.5)decane-8-carboxylateRefChem:353233DTXCID90396520869-783-1MFCD13195278AB7519AKOS015900852CS-W018928PB42435

名称をさらに表示

1,4-ジオキサスピロ[4.5]デカン-8-カルボン酸メチル4,4-(エチレンジオキシ)シクロヘキサンカルボン酸メチルメチル 1,4-ジオキサスピロ[4.5]デカン-8-カルボキシラート1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Methyl Ester

SY108459M32734-Carbomethoxy-1-cyclohexanone ethylene ketalmethyl 1,4-dioxaspiro [4.5]decan-8-carboxylateZ1269224243methyl?1,4-dioxaspiro[4.5]decane-8-carboxylateSCHEMBL3188594XUTIURCKMWHHLX-UHFFFAOYSA-N

データベース識別子

CAS: 26845-47-6
PubChem CID: 10845708
DTXSID: DTXSID00445699
EC Number: 869-783-1
Nikkaji: J895.429A

物性

構造計算による物性

XLogP: 0.7
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 210

物理化学的性質

沸点: 96 · 96-100 °C
比重(密度): 1.15 · 1.15±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
CAS データベース: 26845 · 26845-47-6

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2932.99.9090

化学と産業

応用分野

使用methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is a reagnet used in the preparation of pharmaceutical compounds such as high affinity H3 receptor agonists and reverse hydroxamate-based selective TACE inhibitors.