ethyl isocaproate (CAS 25415-67-2) — formula C8H16O2, molecular weight 144.21; category organic chemicals.
| CAS Number | 25415-67-2 |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 |
| Boiling Point | 160.00 to 163.00 °C. @ 760.00 mm Hg |
| LogP | 2.1 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, ethyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, ethyl ester: INACTIVE.
ethyl isocaproate is a carbon-based organic compound with CAS registry number 25415-67-2 and molecular formula C8H16O2 (molecular weight 144.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 25415-67-2
Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms.
Also known as: ethyl isocaproate · 异己酸乙酯
Category: organic chemicals
The CAS registry number of ethyl isocaproate is 25415-67-2.
Molecular formula C8H16O2, molecular weight 144.21.
It is also registered under: ethyl isocaproate, 异己酸乙酯.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, ethyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for ethyl isocaproate (CAS 25415-67-2), compiled from public chemistry databases.
| CAS Registry Number | 25415-67-2 |
|---|---|
| PubChem CID | 117477 |
| Molecular formula | C8H16O2 |
| IUPAC name | ethyl 4-methylpentanoate |
| UNII (FDA) | DZX6U00Q87 |
| FEMA number | 4343 |
| JECFA number | 2283 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 160.00 to 163.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 153-155 °CC |
| Density | 0.865 - 0.875 |
| Refractive Index | 1.402 - 1.409 |
Ethyl 4-methylvalerate; Ethyl 4-methylpentanoate; Ethyl isocaproate; Pentanoic acid, 4-methyl-, ethyl ester; 4-Methylvaleric Acid Ethyl Ester; Valeric acid, 4-methyl-, ethyl ester; UNII-DZX6U00Q87; Ethyl iso-hexanoate; DZX6U00Q87; EINECS 246-955-9; AI3-33648; DTXSID6067094; FEMA NO. 4343; ETHYL 4-METHYLPENTANOATE [FHFI]; RefChem:138781; Ethyl 4-methylpentanoic acid
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 1050-JECFA 96/31 FAS 87-JECFA 96/185 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
ethyl isocaproate · CAS 25415-67-2 · C8H16O2. UNII DZX6U00Q87. Boiling Point: 160.00 to 163.00 °C. @ 760.00 mm Hg; Boiling Point: 153-155 °CC; Density: 0.865 - 0.875.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异己酸乙酯