8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate) (CAS 223705-77-9) — formula C12H18O2, molecular weight 194.13 g/mol.
| CAS Number | 223705-77-9 |
|---|---|
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13 g/mol |
| LogP | 3.6 |
8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate) is a chemical compound with CAS registry number 223705-77-9 and molecular formula C12H18O2 (molecular weight 194.13 g/mol).
CAS number: 223705-77-9
Its molecular formula C12H18O2 comprises 12 C, 18 H, 2 O atoms.
Also known as: 8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate) · 8-罗勒醇乙酸酯（2,6-二甲基-2,5,7-辛三烯-1-乙酸酯）
The CAS registry number of 8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate) is 223705-77-9.
Molecular formula C12H18O2, molecular weight 194.13 g/mol.
It is also registered under: 8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate), 8-罗勒醇乙酸酯（2,6-二甲基-2,5,7-辛三烯-1-乙酸酯）.
Independent reference data for 8-Ocimenyl acetate (2,6-Dimethyl-2,5,7-octatriene-1-yl acetate) (CAS 223705-77-9), compiled from public chemistry databases.
| CAS 号 | 223705-77-9 |
|---|---|
| PubChem CID | 21967387 |
| 分子式 | C12H18O2 |
| 分子量 | 194.13 g/mol |
| IUPAC 名称 | [(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl] acetate |
| InChIKey | RNKUOBQYBVPNSU-BDLVGCLISA-N |
| UNII（FDA） | C4QPK0FX2T |
| ChEBI 编号 | CHEBI:231288 |
| JECFA 编号 | 1226 |
| Molecular Weight | 194.27 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 194.130679813 |
| Monoisotopic Mass | 194.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
(3Z,6E)-8-Ocimenyl acetate; UNII-C4QPK0FX2T; C4QPK0FX2T; 8-Ocimenyl acetate, (3Z,6E)-; 223705-77-9; FEMA No. 3886, (3Z,6E)-; 2,5,7-Octatrien-1-ol, 2,6-dimethyl-, acetate, (2E,5Z)-; 2,5,7-Octatrien-1-ol, 2,6-dimethyl-, 1-acetate, (2E,5Z)-; RefChem:199261; 8-ocimenyl acetate; 8-Ocimen-1-yl acetate; UNII-W2V2V624KM; 8-Ocimenyl acetate [FHFI]; [(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl] acetate; FEMA No. 3886; W2V2V624KM
| 法规与食品接触 | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/149 ">FAS 60-JECFA 69/628 |
|---|
| 已通报的危害声明 | H317 (100%), H411 (100%) |
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8-罗勒醇乙酸酯（2,6-二甲基-2,5,7-辛三烯-1-乙酸酯） 的 CAS 号为 223705-77-9，分子式 C12H18O2，分子量 194.13 g/mol。 UNII C4QPK0FX2T; ChEBI 231288; InChIKey RNKUOBQYBVPNSU-BDLVGCLISA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.