Heptyl 4-hydroxybenzoate (CAS 1085-12-7) — formula C14H20O3, molecular weight 236.31.
Heptyl 4-hydroxybenzoate is a chemical compound with CAS registry number 1085-12-7 and molecular formula C14H20O3 (molecular weight 236.31).
CAS number: 1085-12-7
Its molecular formula C14H20O3 comprises 14 C, 20 H, 3 O atoms.
Also known as: Heptyl 4-hydroxybenzoate · Heptyl Paraben
The CAS registry number of Heptyl 4-hydroxybenzoate is 1085-12-7.
Molecular formula C14H20O3, molecular weight 236.31.
It is also registered under: Heptyl 4-hydroxybenzoate, Heptyl Paraben.
Public-database records for Heptyl 4-hydroxybenzoate (CAS 1085-12-7), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (80%) |
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| 法规与食品接触 | FDA Substance added to food: ANTIOXIDANT |
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| 熔点 | 49 - 51 °C |
|---|---|
| 溶解度 | 0.02 mg/mL at 30 °C |
| LogP | 4.83 |
| Ionization Efficiency | 0.75 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| CAS 号 | 1085-12-7 |
|---|---|
| PubChem CID | 14138 |
| 分子式 | C14H20O3 |
| IUPAC 名称 | heptyl 4-hydroxybenzoate |
| UNII（FDA） | K2CIJ448IX |
Heptyl 4-hydroxybenzoate; 1085-12-7; Heptylparaben; Heptyl p-hydroxybenzoate; Heptyl paraben; Nipaheptyl; n-Heptyl p-hydroxybenzoate; Staypro WS 7; Benzoic acid, 4-hydroxy-, heptyl ester; p-Hydroxybenzoic acid heptyl ester; BENZOIC ACID, p-HYDROXY-, HEPTYL ESTER; DTXSID4022523; K2CIJ448IX; NSC-309818; DTXCID002523; RefChem:145722
| 分子量 | 236.31 |
|---|---|
| XLogP3 | 4.8 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 8 |
| 精确质量 | 236.14124450 |
| 单同位素质量 | 236.14124450 |
| 拓扑极性表面积 | 46.5 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
4-羟基苯甲酸庚酯 · CAS 1085-12-7 · C14H20O3. UNII K2CIJ448IX. 熔点: 49 - 51 °C; 溶解度: 0.02 mg/mL at 30 °C; LogP: 4.83.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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