uspto-grants-1985_12 · 10.6084/m9.figshare.5104873.v1 · US04556495
查看IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCC(C)C(=O)O
- InChIKey
- SAOSCTYRONNFTC-UHFFFAOYSA-N
- 分子式
- C11H22O2
- 平均分子量
- 186.29 g/mol
- 单同位素质量
- 186.16197994
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 8
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 132
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];H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, 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%);Aquatic Chronic 3 (100%)
USES
用途与制造
General Manufacturing Information
Decanoic acid, 2-methyl-: INACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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