Pentanoic acid, 3-methyl-2-oxo-, methyl ester (CAS 3682-42-6) — formula C7H12O3, molecular weight 144.17; category organic chemicals.
Pentanoic acid, 3-methyl-2-oxo-, methyl ester (CAS 3682-42-6) is a chemical raw material in the organic chemicals category. Its molecular formula C7H12O3 comprises 7 C, 12 H, 3 O atoms. Its molecular weight is about 144.17. Reported physicochemical data: boiling point around 197.00 °C. @ 760.00 mm Hg, LogP about 1.4. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 3682-42-6 |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.17 |
| Boiling Point | 197.00 °C. @ 760.00 mm Hg |
| LogP | 1.4 |
| Applications | flavoring agent |
| Category | Organic Chemicals |
Documented applications: flavoring agent.
Pentanoic acid, 3-methyl-2-oxo-, methyl ester is a carbon-based organic compound with CAS registry number 3682-42-6 and molecular formula C7H12O3 (molecular weight 144.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3682-42-6
Its molecular formula C7H12O3 comprises 7 C, 12 H, 3 O atoms.
Also known as: Pentanoic acid, 3-methyl-2-oxo-, methyl ester · 戊酸，3-甲基-2-氧代-甲酯
Category: organic chemicals
The CAS registry number of Pentanoic acid, 3-methyl-2-oxo-, methyl ester is 3682-42-6.
Molecular formula C7H12O3, molecular weight 144.17.
It is also registered under: Pentanoic acid, 3-methyl-2-oxo-, methyl ester, 戊酸，3-甲基-2-氧代-甲酯.
Recorded applications: flavoring agent.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Pentanoic acid, 3-methyl-2-oxo-, methyl ester (CAS 3682-42-6), compiled from public chemistry databases.
| CAS Number | 3682-42-6 |
|---|---|
| PubChem CID | 545106 |
| Molecular Formula | C7H12O3 |
| IUPAC Name | methyl 3-methyl-2-oxopentanoate |
| UNII (FDA) | 9909D8DVH1 |
| Molecular Weight | 144.17 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.078644241 |
| Monoisotopic Mass | 144.078644241 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 10 |
| Boiling Point | 197.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 197 °C |
| Density | 0.988-0.995 |
| Refractive Index | 1.416-1.426 |
Methyl 3-methyl-2-oxopentanoate; 3682-42-6; Pentanoic acid, 3-methyl-2-oxo-, methyl ester; Methyl 3-methyl-2-oxovalerate; Methyl 2-oxo-3-methylpentanoate; Methyl 2-keto-3-methylvalerate; FEMA No. 3713; Valeric acid, 3-methyl-2-oxo-, methyl ester; 9909D8DVH1; DTXSID10863244; METHYL 2-OXO-3-METHYLPENTANOATE [FHFI]; RefChem:814585; Methyl 2oxo3methylvalerate; Methyl 3methyl2oxovalerate; Methyl 2keto3methylvalerate; Methyl 3methyl2oxopentanoate
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 98.9% (89 / 90) |
| GHS notifications | 98.9% (89 / 90) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 戊酸，3-甲基-2-氧代-甲酯