水杨酸异戊酯（CAS 87-20-7）：分子式 C12H16O3、分子量 208.25。
| CAS号 | 87-20-7 |
|---|---|
| 分子式 | C12H16O3 |
| 分子量 | 208.25 |
| 沸点 | 277.00 to 278.00 °C. @ 760.00 mm Hg |
| LogP | 4.370 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 23 consumer products that contain Isoamyl Salicylate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pesticides、U.S. Production: 2023: 181、086 lb、2022: 178、334 lb、2021: 198、256 lb、2020: 253、081 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、Benzoic acid、2-hydroxy-、3-methylbutyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 23 consumer products that contain Isoamyl Salicylate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pesticides、U.S. Production: 2023: 181、086 lb、2022: 178、334 lb、2021: 198、256 lb、2020: 253、081 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、Benzoic acid、2-hydroxy-、3-methylbutyl ester: ACTIVE。
水杨酸异戊酯 是一种化工化合物，登记 CAS 号为 87-20-7，分子式 C12H16O3（分子量 208.25）。
登记 CAS 号：87-20-7
其分子式 C12H16O3 由 12 个碳、16 个氢、3 个氧 组成。
别名/同义词：水杨酸异戊酯 · ISOAMYL SALICYLATE
水杨酸异戊酯 的 CAS 登记号为 87-20-7。
分子式 C12H16O3，分子量 208.25。
别名/同义词：水杨酸异戊酯、ISOAMYL SALICYLATE。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 23 consumer products that contain Isoamyl Salicylate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pesticides、U.S. Production: 2023: 181、086 lb、2022: 178、334 lb、2021: 198、256 lb、2020: 253、081 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、Benzoic acid、2-hydroxy-、3-methylbutyl ester: ACTIVE。
水杨酸异戊酯（CAS 87-20-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 87-20-7 |
|---|---|
| PubChem CID | 6874 |
| Molecular formula | C12H16O3 |
| Molecular weight | 208.11 g/mol |
| IUPAC name | 3-methylbutyl 2-hydroxybenzoate |
| InChIKey | PMGCQNGBLMMXEW-UHFFFAOYSA-N |
| UNII (FDA) | M25E4ZMR0N |
| ChEBI ID | CHEBI:173601 |
| FEMA number | 2084 |
| JECFA number | 903 |
| Molecular Weight | 208.25 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 208.109944368 |
| Monoisotopic Mass | 208.109944368 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 15 |
| Boiling Point | 277.00 to 278.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 277 °C |
| Solubility | 0.145 mg/mL at 25 °C |
| Density | 1.046-1.055 |
| LogP | 4.370 |
| Refractive Index | 1.504-1.509 |
Isoamyl salicylate; 87-20-7; 3-Methylbutyl 2-hydroxybenzoate; Isopentyl salicylate; 3-Methylbutyl salicylate; Benzoic acid, 2-hydroxy-, 3-methylbutyl ester; Salicylic acid, isopentyl ester; FEMA No. 2084; 2-Hydroxybenzoic acid, 3-methylbutyl ester; M25E4ZMR0N; DTXSID9041655; NSC-7952; RefChem:149007; DTXCID7021655; 201-730-4; Isopentyl 2-Hydroxybenzoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 711) |
| GHS notification summary | 0.1% (1 / 711) |
|---|---|
| Reported hazard statements | H302 (26.2%), H411 (99.7%) |
This chemical does not meet GHS hazard criteria for 0.1% (1 of 711) of reports.
H302 (26.2%): Harmful if swallowed [Warning Acute toxicity, oral]
ISOAMYL SALICYLATE is identified by CAS 87-20-7, molecular formula C12H16O3 and molecular weight 208.11 g/mol. UNII M25E4ZMR0N; ChEBI 173601; InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N. Boiling Point: 277.00 to 278.00 °C. @ 760.00 mm Hg; Boiling Point: 277 °C; Solubility: 0.145 mg/mL at 25 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ISOAMYL SALICYLATE