α-Amylcinnamyl isovalerate (CAS 7493-80-3) — formula C19H28O2, molecular weight 288.21 g/mol.
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
α-Amylcinnamyl isovalerate is a chemical compound with CAS registry number 7493-80-3 and molecular formula C19H28O2 (molecular weight 288.21 g/mol).
CAS number: 7493-80-3
Its molecular formula C19H28O2 comprises 19 C, 28 H, 2 O atoms.
Also known as: α-Amylcinnamyl isovalerate · Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester
The CAS registry number of α-Amylcinnamyl isovalerate is 7493-80-3.
Molecular formula C19H28O2, molecular weight 288.21 g/mol.
It is also registered under: α-Amylcinnamyl isovalerate, Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Public-database records for α-Amylcinnamyl isovalerate (CAS 7493-80-3), reproduced here for independent cross-checking.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Heat No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 171 °C (4 mmHg) |
|---|---|
| 密度 | 0.939-0.950 |
| 折射率 | 1.498-1.508 |
| CAS Registry Number | 7493-80-3 |
|---|---|
| PubChem CID | 6435835 |
| 分子式 | C19H28O2 |
| 分子量 | 288.21 g/mol |
| IUPAC 名称 | [(2Z)-2-benzylideneheptyl] 3-methylbutanoate |
| InChIKey | RNKTVAMGERKTEZ-JXAWBTAJSA-N |
| UNII(FDA) | ZR2O0NCP37 |
| ChEBI 编号 | CHEBI:196590 |
| FEMA 编号 | 2067 |
| JECFA 编号 | 678 |
ALPHA-AMYLCINNAMYL ISOVALERATE; alpha-Pentylcinnamyl isovalerate; 2-Benzylidene-1-heptyl isovalerate; ZR2O0NCP37; 2-Benzylideneheptyl isovalerate; FEMA No. 2067; alpha-Amylcinnamyl isovalerianate; 2-(Phenylmethylene)heptyl 3-methylbutanoate; Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester; Isovaleric acid, beta-pentylcinnamyl ester; alpha-Amyl-beta-phenylacryl 3-methylbutanoate; DTXSID10920523; 7493-80-3; .ALPHA.-AMYLCINNAMYL-ISOVALERATE; .ALPHA.-PENTYLCINNAMYL ISOVALERATE; .ALPHA.-AMYLCINNAMYL ISOVALERATE-[FHFI]
| 分子量 | 288.4 |
|---|---|
| XLogP3 | 6.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 10 |
| 精确质量 | 288.208930132 |
| 单同位素质量 | 288.208930132 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 21 |
| 形式电荷 | 0 |
α-Amylcinnamyl isovalerate is identified by CAS 7493-80-3, molecular formula C19H28O2 and molecular weight 288.21 g/mol. UNII ZR2O0NCP37; ChEBI 196590; InChIKey RNKTVAMGERKTEZ-JXAWBTAJSA-N. 沸点: 171 °C (4 mmHg); 密度: 0.939-0.950; Refractive Index: 1.498-1.508.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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