Amyl heptanoate (CAS 7493-82-5) — formula C12H24O2, molecular weight 200.18 g/mol; category organic chemicals.
| CAS Number | 7493-82-5 |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 g/mol |
| Melting Point | -49.5 °C |
| Boiling Point | 240-245 °C |
| LogP | 4.4 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Heptanoic acid, pentyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Heptanoic acid, pentyl ester: INACTIVE.
Amyl heptanoate is a carbon-based organic compound with CAS registry number 7493-82-5 and molecular formula C12H24O2 (molecular weight 200.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7493-82-5
Its molecular formula C12H24O2 comprises 12 C, 24 H, 2 O atoms.
Also known as: Amyl heptanoate · 庚酸正戊酯
Category: organic chemicals
The CAS registry number of Amyl heptanoate is 7493-82-5.
Molecular formula C12H24O2, molecular weight 200.18 g/mol.
It is also registered under: Amyl heptanoate, 庚酸正戊酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Heptanoic acid, pentyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for Amyl heptanoate (CAS 7493-82-5), compiled from public chemistry databases.
| CAS 号 | 7493-82-5 |
|---|---|
| PubChem CID | 61415 |
| 分子式 | C12H24O2 |
| 分子量 | 200.18 g/mol |
| IUPAC 名称 | pentyl heptanoate |
| InChIKey | PSQMUBJRXIGVIT-UHFFFAOYSA-N |
| UNII（FDA） | I91PDA80HT |
| ChEBI 编号 | CHEBI:179752 |
| FEMA 编号 | 2073 |
| JECFA 编号 | 170 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 240-245 °C |
|---|---|
| Melting Point | -49.5 °C |
| Density | 0.859-0.863 |
| Refractive Index | 1.422-1.426 |
Pentyl heptanoate; AMYL HEPTANOATE; 7493-82-5; Heptanoic acid, pentyl ester; Amyl heptylate; Amyl heptoate; Amyl oenanthate; FEMA No. 2073; I91PDA80HT; N-AMYL HEPTANOATE; EINECS 231-342-0; NSC 46129; NSC-46129; AMYL HEPTANOATE [FCC]; AI3-33582; AMYL HEPTANOATE [FHFI]
| 法规与食品接触 | 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 通报统计 | 100% (138 / 138) |
| GHS 通报统计 | 100% (138 / 138) |
|---|
庚酸正戊酯 的 CAS 号为 7493-82-5，分子式 C12H24O2，分子量 200.18 g/mol。 UNII I91PDA80HT; ChEBI 179752; InChIKey PSQMUBJRXIGVIT-UHFFFAOYSA-N. Boiling Point: 240-245 °C; Melting Point: -49.5 °C; Density: 0.859-0.863.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 庚酸正戊酯