methyl pent-4-enoate (CAS 818-57-5) — formula C6H10O2, molecular weight 114.14; category organic chemicals.
| CAS Number | 818-57-5 |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.14 |
| Boiling Point | 125.00 to 127.00 °C. @ 760.00 mm Hg |
| LogP | 1.2 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
methyl pent-4-enoate is a carbon-based organic compound with CAS registry number 818-57-5 and molecular formula C6H10O2 (molecular weight 114.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 818-57-5
Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.
Also known as: methyl pent-4-enoate
Category: organic chemicals
The CAS registry number of methyl pent-4-enoate is 818-57-5.
Molecular formula C6H10O2, molecular weight 114.14.
It is also registered under: methyl pent-4-enoate.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for methyl pent-4-enoate (CAS 818-57-5), compiled from public chemistry databases.
| CAS Registry Number | 818-57-5 |
|---|---|
| PubChem CID | 543664 |
| Molecular formula | C6H10O2 |
| IUPAC name | methyl pent-4-enoate |
| UNII (FDA) | G48IPZ8O71 |
| FEMA number | 4353 |
| JECFA number | 1616 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 125.00 to 127.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 125-127 °C |
| Density | 0.882-0.890 |
| Refractive Index | 1.412-1.418 |
methyl pent-4-enoate; Methyl 4-pentenoate; 818-57-5; Methyl allylacetate; 4-Pentenoic acid, methyl ester; Allylacetic acid methyl ester; Methyl 4-pentenoate [FHFI]; FEMA No. 4353; UNII-G48IPZ8O71; G48IPZ8O71; DTXSID60231373; RefChem:157648; DTXCID60153864; 627-166-2; InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H; SHCSFZHSNSGTOP-UHFFFAOYSA-N
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Green No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|
| Reported hazard statements | H226 (97.6%), H319 (97.6%) |
|---|
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
methyl pent-4-enoate · CAS 818-57-5 · C6H10O2. UNII G48IPZ8O71. Boiling Point: 125.00 to 127.00 °C. @ 760.00 mm Hg; Boiling Point: 125-127 °C; Density: 0.882-0.890.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: methyl pent-4-enoate