1,4-Dioxaspiro(4.6)undec-6-ene 分子结构式
HCID279481

1,4-Dioxaspiro(4.6)undec-6-ene

1,4-dioxaspiro[4.6]undec-6-ene

C9H14O2154.21 g/molCAS 1728-24-1

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

已同步
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

来源:PubChem
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

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 16 条
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

参与反应

5
HRID 904 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723462

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HRID 582833 反应方程式

uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05925770

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HRID 1290085 反应方程式

uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05750702

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HRID 1870484 反应方程式

uspto-grants-2000_08 · 10.6084/m9.figshare.5104873.v1 · US06096887

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HRID 2314140 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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