HCID8164

Octyl Acetate

C10H20O2172.26 g/molCAS 112-14-1

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCOC(C)=O
InChIKey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
分子式: C10H20O2
平均分子量: 172.26 g/mol
单同位素质量: 172.14632988

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 8
重原子: 12
形式电荷: 0
复杂度: 110

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 79 条

Octyl acetate112-14-1n-Octyl acetateAcetic acid, octyl esterCaprylyl acetateOctyl ethanoaten-Octanyl acetateOctyl alcohol acetateOctyl acetate, normalFEMA No. 2806DTXSID8044202X0FN2J413SNSC-67348DTXCID6024202CHEBI:87495RefChem:167871203-939-6Acetic acid octyl ester1-Octyl acetate1-Octanol acetate

REACTIONS

参与反应

30 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07744838B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05118837

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07271297B2

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07271297B2

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07271297B2

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