DL-MANDELIC ACID ISOAMYL ESTER (CAS 5421-04-5) — formula C13H18O3, molecular weight 222.28; category organic chemicals.
| CAS Number | 5421-04-5 |
|---|---|
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| LogP | 2.9 |
| Category | Organic Chemicals |
DL-MANDELIC ACID ISOAMYL ESTER is a carbon-based organic compound with CAS registry number 5421-04-5 and molecular formula C13H18O3 (molecular weight 222.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5421-04-5
Its molecular formula C13H18O3 comprises 13 C, 18 H, 3 O atoms.
Also known as: DL-MANDELIC ACID ISOAMYL ESTER · DL-扁桃酸异戊酯
Category: organic chemicals
The CAS registry number of DL-MANDELIC ACID ISOAMYL ESTER is 5421-04-5.
Molecular formula C13H18O3, molecular weight 222.28.
It is also registered under: DL-MANDELIC ACID ISOAMYL ESTER, DL-扁桃酸异戊酯.
Category: Organic Chemicals.
Independent reference data for DL-MANDELIC ACID ISOAMYL ESTER (CAS 5421-04-5), compiled from public chemistry databases.
| CAS 号 | 5421-04-5 |
|---|---|
| PubChem CID | 95396 |
| 分子式 | C13H18O3 |
| IUPAC 名称 | 3-methylbutyl 2-hydroxy-2-phenylacetate |
| UNII（FDA） | MCC49E3509 |
| Molecular Weight | 222.28 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 222.125594432 |
| Monoisotopic Mass | 222.125594432 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 16 |
Isoamyl mandelate; 5421-04-5; DL-Mandelic acid isoamyl ester; Mandelic acid isoamyl ester; Isopentyl alcohol, mandelate; MCC49E3509; NSC-6631; EINECS 226-535-1; alpha-Hydroxy-3-methylbutyl benzeneacetate; UNII-MCC49E3509; NSC 6631; Benzeneacetic acid, alpha-hydroxy-3-methylbutyl ester; Benzeneacetic acid, .alpha.-hydroxy-, 3-methylbutyl ester; MANDELIC ACID ISOAMYL ESTER [MI]; RefChem:149001; 95360-05-7
| 已通报的危害声明 | H319 (100%), H315 (100%) |
|---|
DL-扁桃酸异戊酯 · CAS 5421-04-5 · C13H18O3. UNII MCC49E3509.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: DL-扁桃酸异戊酯