Isobutyl salicylate (CAS 87-19-4) — formula C11H14O3, molecular weight 194.09 g/mol.
Isobutyl salicylate is a chemical compound with CAS registry number 87-19-4 and molecular formula C11H14O3 (molecular weight 194.09 g/mol).
CAS number: 87-19-4
Its molecular formula C11H14O3 comprises 11 C, 14 H, 3 O atoms.
Also known as: Isobutyl salicylate · Isobutylsalicylate
The CAS registry number of Isobutyl salicylate is 87-19-4.
Molecular formula C11H14O3, molecular weight 194.09 g/mol.
It is also registered under: Isobutyl salicylate, Isobutylsalicylate.
Public-database records for Isobutyl salicylate (CAS 87-19-4), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%) |
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| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 261.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 260 °C |
| 熔点 | -6 °C |
| 密度 | 1.062-1.069 |
| LogP | 4.000 |
| 折射率 | 1.506-1.570 |
| CAS 号 | 87-19-4 |
|---|---|
| PubChem CID | 6873 |
| 分子式 | C11H14O3 |
| 分子量 | 194.09 g/mol |
| IUPAC 名称 | 2-methylpropyl 2-hydroxybenzoate |
| InChIKey | PTXDBYSCVQQBNF-UHFFFAOYSA-N |
| UNII（FDA） | S122C080GX |
| ChEBI 编号 | CHEBI:173947 |
| FEMA 编号 | 2213 |
| JECFA 编号 | 902 |
Isobutyl salicylate; 87-19-4; 2-Methylpropyl 2-hydroxybenzoate; Isobutyl o-hydroxybenzoate; Benzoic acid, 2-hydroxy-, 2-methylpropyl ester; 2-Methylpropyl o-hydroxybenzoate; SALICYLIC ACID, ISOBUTYL ESTER; FEMA No. 2213; DTXSID3047186; S122C080GX; NSC-62140; DTXCID1027186; RefChem:149102; 201-729-9; Isobutyl 2-hydroxybenzoate; 2-Isobutoxycarbonylphenol
| 分子量 | 194.23 |
|---|---|
| XLogP3 | 3.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 4 |
| 精确质量 | 194.094294304 |
| 单同位素质量 | 194.094294304 |
| 拓扑极性表面积 | 46.5 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
水杨酸异丁酯/邻羟基苯甲酸异丁酯 的 CAS 号为 87-19-4，分子式 C11H14O3，分子量 194.09 g/mol。 UNII S122C080GX; ChEBI 173947; InChIKey PTXDBYSCVQQBNF-UHFFFAOYSA-N. 沸点: 261.00 °C. @ 760.00 mm Hg; 沸点: 260 °C; 熔点: -6 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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