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结构：O=C1CC2(COC2)C1
HCID67452149

2-Oxaspiro[3.3]heptan-6-one

C6H8O2112.13 g/molCAS 1339892-66-8
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IDENTITY

结构与身份

标准 SMILES
O=C1CC2(COC2)C1
InChIKey
JWNCVDJOXJTJPB-UHFFFAOYSA-N
分子式
C6H8O2
平均分子量
112.13 g/mol
单同位素质量
112.05242949

COMPUTED

结构计算性质

已同步
XLogP
-0.6
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
125

GHS

GHS 分类

来源：PubChem
GHS Classification

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): 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]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Flam. Liq. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 19 条
2-oxaspiro[3.3]heptan-6-one1339892-66-82-oxaspiro(3.3)heptan-6-oneRefChem:477403840-774-42-OXA-SPIRO[3.3]HEPTAN-6-ONEMFCD224152396-Oxaspiro[3.3]heptan-2-oneSCHEMBL2560039SCHEMBL27961772JWNCVDJOXJTJPB-UHFFFAOYSA-NAKOS023413556PB24493AS-32757SY097248DB-098789CS-0051820EN300-115454F466918

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂