1,4-Dioxaspiro(4.5)decan-8-yl methanesulfonate

HCID 14966741

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 141120-33-4
標準SMILES: CS(=O)(=O)OC1CCC2(CC1)OCCO2
InChIKey: XSLHQJJTBVYMJX-UHFFFAOYSA-N
分子式: C9H16O5S
平均分子量: 236.29 g/mol
単同位体質量: 236.07184478

名称と識別子

優先名称: 1,4-Dioxaspiro(4.5)decan-8-yl methanesulfonate
IUPAC: 1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate
英語名: 1,4-DIOXASPIRO[4.5]DECAN-8-YL METHANESULFONATE
分子式: C9H16O5S
分子量: 236.29

名称と別名

141120-33-41,4-dioxaspiro[4.5]decan-8-yl methanesulfonateDTXSID605661971,4-Dioxaspiro(4.5)decan-8-yl methanesulfonateRefChem:220762DTXCID80516972967-670-21,4-Dioxa-spiro[4.5]dec-8-yl methanesulfonateMFCD09953114C9H16O5Smethanesulfonic acid 1,4-dioxaspiro[4.5]decan-8-yl esterAB3686

名称をさらに表示

INTER41,4-Dioxa-spiro[4.5]dec-8-yl metha1,4-Dioxaspiro[4.5]dec-8-yl methanesulfonate8-methylsulfonyloxy-1,4-dioxaspiro[4.5]decane1,4-Dioxaspiro[4.5]decan-8-ol, 8-methanesulfonate1,4-Dioxa-spiro[4.5]dec-8-yl methanesulfonate, 98%

SCHEMBL101485XSLHQJJTBVYMJX-UHFFFAOYSA-NRFA12033AKOS015996053AS-44727SY066006DS-016092CS-0208021

データベース識別子

CAS: 141120-33-4
PubChem CID: 14966741
DTXSID: DTXSID60566197
EC Number: 967-670-2

物性

構造計算による物性

XLogP: 0.4
極性表面積: 70.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 302

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.