Pentanoic acid, 3-methyl-2-oxo-, methyl ester (CAS 3682-42-6) — formula C7H12O3, molecular weight 144.17; category organic chemicals.
| 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 | Used as a flavoring agent |
| Category | Organic Chemicals |
Documented applications: Used as a 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: Used as a flavoring agent.
Category: Organic Chemicals.
Independent reference data for Pentanoic acid, 3-methyl-2-oxo-, methyl ester (CAS 3682-42-6), compiled from public chemistry databases.
| CAS 号 | 3682-42-6 |
|---|---|
| PubChem CID | 545106 |
| 分子式 | C7H12O3 |
| IUPAC 名称 | methyl 3-methyl-2-oxopentanoate |
| UNII（FDA） | 9909D8DVH1 |
| FEMA 编号 | 3713 |
| JECFA 编号 | 591 |
| 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
| 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 Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 98.9% (89 / 90) |
| GHS 通报统计 | 98.9% (89 / 90) |
|---|
戊酸，3-甲基-2-氧代-甲酯 · CAS 3682-42-6 · C7H12O3. UNII 9909D8DVH1. Boiling Point: 197.00 °C. @ 760.00 mm Hg; Boiling Point: 197 °C; Density: 0.988-0.995.
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