Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCCCOC(=O)c1ccc(O)cc1
- InChIKey
- BAYSQTBAJQRACX-UHFFFAOYSA-N
- 分子式
- C19H30O3
- 平均分子量
- 306.4 g/mol
- 单同位素质量
- 306.21949481
COMPUTED
结构计算性质
- XLogP
- 7.5
- 极性表面积
- 46.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 13
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 270
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Regulatory Information
Chemical: Benzoic acid, 4-hydroxy-, dodecyl ester
Other Safety Information
IMAP assessments - Parabens: Environment tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
REGULATORY
法规信息
Regulatory Information
Chemical: Benzoic acid, 4-hydroxy-, dodecyl ester
ALIASES
名称与别名
Benzoic acid, 4-hydroxy-, dodecyl esterRefChem:566008Benzoic acid, 4-hydroxy-, dodecyl ester (9CI)Dodecyl 4-hydroxybenzoate2664-60-0Dodecyl p-hydroxybenzoaten-Dodecyl 4-hydroxybenzoateDodecylparabenp-Hydroxybenzoic acid dodecyl esterMFCD00016473p-Oxybenzoesaureduodecylester4-Hydroxybenzoic acid dodecyl esterDTXSID9047883TN2AFL5PYKLauryl 4-HydroxybenzoateBENZOIC ACID, p-HYDROXY-, DODECYL ESTERNSC-309822EINECS 220-195-8p-Oxybenzoesaureduodecylester [German]NSC 309822
REACTIONS
