Methyl 4-methylvalerate (CAS 2412-80-8) — formula C7H14O2, molecular weight 130.10 g/mol.
| CAS Number | 2412-80-8 |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.10 g/mol |
| Boiling Point | 139.00 to 140.00 °C. @ 760.00 mm Hg |
| LogP | 2.1 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, methyl ester: ACTIVE |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, methyl ester: ACTIVE.
Methyl 4-methylvalerate is a chemical compound with CAS registry number 2412-80-8 and molecular formula C7H14O2 (molecular weight 130.10 g/mol).
CAS number: 2412-80-8
Its molecular formula C7H14O2 comprises 7 C, 14 H, 2 O atoms.
Also known as: Methyl 4-methylvalerate · methyl 2-methylpentanoate
The CAS registry number of Methyl 4-methylvalerate is 2412-80-8.
Molecular formula C7H14O2, molecular weight 130.10 g/mol.
It is also registered under: Methyl 4-methylvalerate, methyl 2-methylpentanoate.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Pentanoic acid, 4-methyl-, methyl ester: ACTIVE.
Independent reference data for Methyl 4-methylvalerate (CAS 2412-80-8), compiled from public chemistry databases.
| CAS Registry Number | 2412-80-8 |
|---|---|
| PubChem CID | 17008 |
| Molecular formula | C7H14O2 |
| Molecular weight | 130.10 g/mol |
| IUPAC name | methyl 4-methylpentanoate |
| InChIKey | KBCOVKHULBZKNY-UHFFFAOYSA-N |
| UNII (FDA) | J4R2BY5GJT |
| ChEBI ID | CHEBI:179994 |
| FEMA number | 2721 |
| JECFA number | 216 |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 139.00 to 140.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 142-143 °C |
| Density | 0.885-0.892 |
| Refractive Index | 1.402-1.406 |
METHYL 4-METHYLPENTANOATE; Methyl 4-methylvalerate; 2412-80-8; Methyl isocaproate; Methyl isohexanoate; Methyl isobutylacetate; Pentanoic acid, 4-methyl-, methyl ester; Valeric acid, 4-methyl-, methyl ester; FEMA No. 2721; methyl 4-methyl valerate; J4R2BY5GJT; 4-methylpentanoic acid methyl ester; EINECS 219-320-9; DTXSID0062393; METHYL 4-METHYLVALERATE [FHFI]; Methyl isobutyl acetate
| Regulatory & Food Contact | 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 notification summary | 0.1% (1 / 1414) |
| GHS notification summary | 0.1% (1 / 1414) |
|---|---|
| Reported hazard statements | H226 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1414) of reports.
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
Methyl 4-methylvalerate is identified by CAS 2412-80-8, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII J4R2BY5GJT; ChEBI 179994; InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N. Boiling Point: 139.00 to 140.00 °C. @ 760.00 mm Hg; Boiling Point: 142-143 °C; Density: 0.885-0.892.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Methyl 4-methylvalerate