3-methyleneoctan-2-one (CAS 63759-55-7) — formula C9H16O, molecular weight 140.22; category organic chemicals.
| CAS Number | 63759-55-7 |
|---|---|
| Molecular Formula | C9H16O |
| Molecular Weight | 140.22 |
| Boiling Point | 81 °C (31 mm Hg) |
| LogP | 3 |
| 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: 2-Octanone, 3-methylene-: INACTIVE |
| 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, General Manufacturing Information: 2-Octanone, 3-methylene-: INACTIVE.
3-methyleneoctan-2-one is a carbon-based organic compound with CAS registry number 63759-55-7 and molecular formula C9H16O (molecular weight 140.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63759-55-7
Its molecular formula C9H16O comprises 9 C, 16 H, 1 O atoms.
Also known as: 3-methyleneoctan-2-one · 3-亚甲基辛烷-2-酮
Category: organic chemicals
The CAS registry number of 3-methyleneoctan-2-one is 63759-55-7.
Molecular formula C9H16O, molecular weight 140.22.
It is also registered under: 3-methyleneoctan-2-one, 3-亚甲基辛烷-2-酮.
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: 2-Octanone, 3-methylene-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-methyleneoctan-2-one (CAS 63759-55-7), compiled from public chemistry databases.
| CAS 号 | 63759-55-7 |
|---|---|
| PubChem CID | 62218 |
| 分子式 | C9H16O |
| IUPAC 名称 | 3-methylideneoctan-2-one |
| UNII（FDA） | U0DN158008 |
| FEMA 编号 | 3725 |
| JECFA 编号 | 1149 |
| Molecular Weight | 140.22 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 140.120115130 |
| Monoisotopic Mass | 140.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 81 °C (31 mm Hg) |
|---|---|
| Density | 0.808-0.814 |
| Refractive Index | 1.437-1.442 |
3-methylideneoctan-2-one; 2-Pentyl-1-buten-3-one; 3-Methylene-2-octanone; 63759-55-7; 3-Methyleneoctan-2-one; 2-Octanone, 3-methylene-; FEMA No. 3725; 3-pentyl-3-buten-2-one; EINECS 264-448-0; U0DN158008; DTXSID3069986; 2-PENTYL-1-BUTEN-3-ONE [FHFI]; RefChem:477887; DTXCID5044102; 264-448-0; UNII-U0DN158008
| 法规与食品接触 | 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 913-JECFA 59/102 |
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3-亚甲基辛烷-2-酮 · CAS 63759-55-7 · C9H16O. UNII U0DN158008. Boiling Point: 81 °C (31 mm Hg); Density: 0.808-0.814; Refractive Index: 1.437-1.442.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-亚甲基辛烷-2-酮