methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate (CAS 2630-39-9) — formula C13H22O3, molecular weight 226.31; category organic chemicals.
| CAS Number | 2630-39-9 |
|---|---|
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.31 |
| Melting Point | -10 °C |
| Boiling Point | 109.00 to 112.00 °C. @ 0.20 mm Hg |
| LogP | 2.7 |
| Category | Organic Chemicals |
methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate is a carbon-based organic compound with CAS registry number 2630-39-9 and molecular formula C13H22O3 (molecular weight 226.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2630-39-9
Its molecular formula C13H22O3 comprises 13 C, 22 H, 3 O atoms.
Also known as: methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate · 二氢茉莉酮酸甲酯
Category: organic chemicals
The CAS registry number of methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate is 2630-39-9.
Molecular formula C13H22O3, molecular weight 226.31.
It is also registered under: methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate, 二氢茉莉酮酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate (CAS 2630-39-9), compiled from public chemistry databases.
| CAS 号 | 2630-39-9 |
|---|---|
| PubChem CID | 1738124 |
| 分子式 | C13H22O3 |
| IUPAC 名称 | methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate |
| UNII（FDA） | XM1C2C5MMN |
| JECFA 编号 | 1898 |
| Molecular Weight | 226.31 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 226.15689456 |
| Monoisotopic Mass | 226.15689456 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 16 |
| Boiling Point | 109.00 to 112.00 °C. @ 0.20 mm Hg |
|---|---|
| Boiling Point | 109-112 °C (0.2 mm Hg) |
| Melting Point | -10 °C |
| Solubility | 0.28 mg/mL |
| Density | 0.997-1.008 (20 °C) |
| Refractive Index | 1.454-1.464 |
2630-39-9; trans-(-)-Hedione; Dihydrojasmonic acid methyl ester; (-)-Methyl dihydrojasmonate; Methyl trans-dihydrojasmonate; (1R,2R)-Methyl dihydrojasmonate; Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2R)-; XM1C2C5MMN; HEDIONE HC; EINECS 220-112-5; Methyl dihydrojasmonate, (-)-trans-; Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (-)-; DTXSID80883873; Methyl 3-oxo-2-pentylcyclopentaneacetate; METHYL DIHYDROJASMONATE (NATURAL); (-)-TRANS-METHYL DIHYDROJASMONATE
| 法规与食品接触 | Flavoring Agents |
|---|---|
| GHS 通报统计 | 99.9% (1818 / 1820) |
| GHS 通报统计 | 99.9% (1818 / 1820) |
|---|
二氢茉莉酮酸甲酯 · CAS 2630-39-9 · C13H22O3. UNII XM1C2C5MMN. Boiling Point: 109.00 to 112.00 °C. @ 0.20 mm Hg; Boiling Point: 109-112 °C (0.2 mm Hg); Melting Point: -10 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二氢茉莉酮酸甲酯