HCID79816

p-(Hexyloxy)benzaldehyde

4-hexoxybenzaldehyde

C13H18O2206.28 g/molCAS 5736-94-7

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IDENTITY

结构与身份

标准SMILES: CCCCCCOc1ccc(C=O)cc1
InChIKey: GWXUVWKBVROFDM-UHFFFAOYSA-N
分子式: C13H18O2
平均分子量: 206.28 g/mol
单同位素质量: 206.13067981

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 7
重原子: 15
形式电荷: 0
复杂度: 160

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 Irrit. 2A (100%)；STOT SE 3 (100%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

Benzaldehyde, 4-(hexyloxy)-: INACTIVE

ALIASES

名称与别名

共 48 条

4-(Hexyloxy)benzaldehyde5736-94-74-HexoxybenzaldehydeBenzaldehyde, 4-(hexyloxy)-Benzaldehyde, p-(hexyloxy)-p-(Hexyloxy)benzaldehydeZU34J4QL75EINECS 227-251-0NSC 508752NSC-508752DTXSID00639954-(N-HEXYLOXY)BENZALDEHYDERefChem:857948DTXCID4042208227-251-04-Hexyloxybenzaldehyde4-n-Hexyloxybenzaldehydep-HexyloxybenzaldehydeMFCD00016615p-n-Hexyloxybenzaldehyde

REACTIONS

参与反应

19 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849203B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06939479B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 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_08 · 10.6084/m9.figshare.5104873.v1 · US05135955

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uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05135955

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uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05135955

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