基本信息
- CAS
33711-43-2- 标准SMILES
CC1C(C)(C)C2=C(C(O)CCC2)C1(C)C- InChIKey
TYCUOMHJQBSOBZ-UHFFFAOYSA-N- 分子式
- C14H24O
- 平均分子量
- 208.34 g/mol
- 单同位素质量
- 208.18271539
名称与标识
- 首选名称
- 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
- IUPAC
- 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol
名称与别名
33711-43-2DTXSID005643741,1,2,3,3-Pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-olRefChem:213194DTXCID10515150801-670-4SCHEMBL1495185TYCUOMHJQBSOBZ-UHFFFAOYSA-N4,5,6,7-TETRAHYDRO-1,1,2,3,3-PENTAMETHYL-4-INDANOL
数据库标识
- CAS
33711-43-2- PubChem CID
- 14817841
- DTXSID
DTXSID00564374- EC Number
- 801-670-4
性质
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 309
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
GHS Classification
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Hazard Classes and CategoriesSTOT RE 2 (100%)
相关反应
5 条
化合物笔记
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