3-Heptyldihydro-5-methyl-2(3H)-furanone (CAS 40923-64-6) — formula C12H22O2, molecular weight 198.16 g/mol.
| CAS Number | 40923-64-6 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16 g/mol |
| Boiling Point | 170.00 °C. @ 17.00 mm Hg |
| LogP | 4.3 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2(3H)-Furanone, 3-heptyldihydro-5-methyl-: ACTIVE |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2(3H)-Furanone, 3-heptyldihydro-5-methyl-: ACTIVE.
3-Heptyldihydro-5-methyl-2(3H)-furanone is a chemical compound with CAS registry number 40923-64-6 and molecular formula C12H22O2 (molecular weight 198.16 g/mol).
CAS number: 40923-64-6
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: 3-Heptyldihydro-5-methyl-2(3H)-furanone · 3-heptyldihydro-5-methylfuran-2(3H)-one
The CAS registry number of 3-Heptyldihydro-5-methyl-2(3H)-furanone is 40923-64-6.
Molecular formula C12H22O2, molecular weight 198.16 g/mol.
It is also registered under: 3-Heptyldihydro-5-methyl-2(3H)-furanone, 3-heptyldihydro-5-methylfuran-2(3H)-one.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2(3H)-Furanone, 3-heptyldihydro-5-methyl-: ACTIVE.
Independent reference data for 3-Heptyldihydro-5-methyl-2(3H)-furanone (CAS 40923-64-6), compiled from public chemistry databases.
| CAS 号 | 40923-64-6 |
|---|---|
| PubChem CID | 61990 |
| 分子式 | C12H22O2 |
| 分子量 | 198.16 g/mol |
| IUPAC 名称 | 3-heptyl-5-methyloxolan-2-one |
| InChIKey | ZFKUTGNRVJOCIO-UHFFFAOYSA-N |
| UNII（FDA） | B5Z5UJR56Z |
| ChEBI 编号 | CHEBI:171832 |
| FEMA 编号 | 3350 |
| JECFA 编号 | 244 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 170.00 °C. @ 17.00 mm Hg |
|---|---|
| Boiling Point | 170 °C (17 mm Hg) |
| Density | 0.935-0.942 |
| Refractive Index | 1.443-1.450 |
3-Heptyldihydro-5-methyl-2(3H)-furanone; 3-heptyl-5-methyloxolan-2-one; FEMA No. 3350; 3-Heptyldihydro-5-methylfuran-2(3H)-one; 2(3H)-Furanone, 3-heptyldihydro-5-methyl-; alpha-Heptyl-gamma-valerolactone; UNII-B5Z5UJR56Z; B5Z5UJR56Z; EINECS 255-141-2; DTXSID80866025; .ALPHA.-HEPTYL-.GAMMA.-VALEROLACTONE; 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE [FHFI]; RefChem:94019; DTXCID60814367; (+-)-3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE; 40923-64-6
| 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 Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 6.4% (88 / 1374) |
| GHS 通报统计 | 6.4% (88 / 1374) |
|---|---|
| 已通报的危害声明 | H302 (93.6%) |
3-庚基二氢-5-甲基-2(3H)-呋喃酮 的 CAS 号为 40923-64-6，分子式 C12H22O2，分子量 198.16 g/mol。 UNII B5Z5UJR56Z; ChEBI 171832; InChIKey ZFKUTGNRVJOCIO-UHFFFAOYSA-N. Boiling Point: 170.00 °C. @ 17.00 mm Hg; Boiling Point: 170 °C (17 mm Hg); Density: 0.935-0.942.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.