水杨酸异戊酯，CAS 登记号 87-20-7，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 87-20-7; molecular formula C12H16O3; molecular weight 208.11 g/mol.
Isoamyl salicylate, 87-20-7, 3-Methylbutyl 2-hydroxybenzoate, Isopentyl salicylate, 3-Methylbutyl salicylate, Benzoic acid, 2-hydroxy-, 3-methylbutyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (1 of 711).
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.