HEPTAN-3-YLACETATE (CAS 5921-83-5) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 5921-83-5 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| LogP | 2.9 |
| Category | Organic Chemicals |
HEPTAN-3-YLACETATE is a carbon-based organic compound with CAS registry number 5921-83-5 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5921-83-5
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: HEPTAN-3-YLACETATE · 乙酸庚烷-3-酯
Category: organic chemicals
The CAS registry number of HEPTAN-3-YLACETATE is 5921-83-5.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: HEPTAN-3-YLACETATE, 乙酸庚烷-3-酯.
Category: Organic Chemicals.
Independent reference data for HEPTAN-3-YLACETATE (CAS 5921-83-5), compiled from public chemistry databases.
| CAS 号 | 5921-83-5 |
|---|---|
| PubChem CID | 537615 |
| 分子式 | C9H18O2 |
| IUPAC 名称 | heptan-3-yl acetate |
| UNII（FDA） | 79AS95G5J0 |
| FEMA 编号 | 3980 |
| JECFA 编号 | 1143 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 185 °C |
| Density | 0.858-0.867 |
| Refractive Index | 1.406-1.414 |
5921-83-5; 3-heptanol, acetate; 3-HEPTYL ACETATE; 3-Heptanyl acetate; Hept-3-yl ethanoate; 3-Heptanol, 3-acetate; FEMA No. 3980; 79AS95G5J0; UNII-79AS95G5J0; DTXSID60904737; RefChem:94010; DTXCID701333845; (+-)-HEPTAN-3-YL ACETATE; HEPTAN-3-YL ACETATE, (+-)-; 611-812-5; QICIMADZMWGDTQ-UHFFFAOYSA-N
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Floral |
|---|
| 已通报的危害声明 | H226 (100%) |
|---|
乙酸庚烷-3-酯 · CAS 5921-83-5 · C9H18O2. UNII 79AS95G5J0. Boiling Point: 185.00 °C. @ 760.00 mm Hg; Boiling Point: 185 °C; Density: 0.858-0.867.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酸庚烷-3-酯