uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723462
查看IDENTITY
结构与身份
- 标准SMILES
- C1=CC2(CCCC1)OCCO2
- InChIKey
- CQAUTOXIUPPFQV-UHFFFAOYSA-N
- 分子式
- C9H14O2
- 平均分子量
- 154.21 g/mol
- 单同位素质量
- 154.09937969
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 18.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 157
GHS
GHS分类
GHS Classification
Danger
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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)
ALIASES
名称与别名
1,4-Dioxaspiro[4.6]undec-6-ene1728-24-1DTXSID902994011,4-Dioxaspiro(4.6)undec-6-eneRefChem:220788DTXCID50250538CQAUTOXIUPPFQV-UHFFFAOYSA-N1,4-dioxaspiro[4.6]undec-10-ene1,4-Dioxa-spiro[4.6]undec-6-ene2-cycloheptenone ethylene ketalMFCD00667727NSC130060SCHEMBL7364578AKOS024050357NSC-130060DA-30205
REACTIONS