Isobutylsalicylate (CAS 87-19-4) — formula C11H14O3, molecular weight 194.23; category organic chemicals.
| CAS Number | 87-19-4 |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.23 |
| Melting Point | -6 °C |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
| LogP | 4.000 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 7 consumer products that contain Isobutyl Salicylate in the following categories is provided:, • Auto Products, • Inside the Home, U.S. Production: 2023: <50, 000 lb, 2022: 50, 000 - <250, 2021: <50, 2020: <50, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 2-methylpropyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 7 consumer products that contain Isobutyl Salicylate in the following categories is provided:, • Auto Products, • Inside the Home, U.S. Production: 2023: <50, 000 lb, 2022: 50, 000 - <250, 2021: <50, 2020: <50, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 2-methylpropyl ester: ACTIVE.
Isobutylsalicylate is a carbon-based organic compound with CAS registry number 87-19-4 and molecular formula C11H14O3 (molecular weight 194.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87-19-4
Its molecular formula C11H14O3 comprises 11 C, 14 H, 3 O atoms.
Also known as: Isobutylsalicylate · 水杨酸异丁酯/邻羟基苯甲酸异丁酯 · Isobutyl salicylate
Category: organic chemicals
The CAS registry number of Isobutylsalicylate is 87-19-4.
Molecular formula C11H14O3, molecular weight 194.23.
It is also registered under: Isobutylsalicylate, 水杨酸异丁酯/邻羟基苯甲酸异丁酯, Isobutyl salicylate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 7 consumer products that contain Isobutyl Salicylate in the following categories is provided:, • Auto Products, • Inside the Home, U.S. Production: 2023: <50, 000 lb, 2022: 50, 000 - <250, 2021: <50, 2020: <50, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 2-methylpropyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Isobutylsalicylate (CAS 87-19-4), compiled from public chemistry databases.
| 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 |
| Molecular Weight | 194.23 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.094294304 |
| Monoisotopic Mass | 194.094294304 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 14 |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 260 °C |
| Melting Point | -6 °C |
| Density | 1.062-1.069 |
| LogP | 4.000 |
| Refractive Index | 1.506-1.570 |
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
| 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 |
|---|
| 已通报的危害声明 | H302 (100%) |
|---|
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. Boiling Point: 261.00 °C. @ 760.00 mm Hg; Boiling Point: 260 °C; Melting Point: -6 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 水杨酸异丁酯