(S)-3,7-dimethyloct-7-enyl acetate (CAS 94481-73-9) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
| CAS Number | 94481-73-9 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| Boiling Point | 237 °C |
| LogP | 4.1 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 7-Octen-1-ol, 3, 7-dimethyl-, 1-acetate: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 7-Octen-1-ol, 3, 7-dimethyl-, 1-acetate: ACTIVE.
(S)-3,7-dimethyloct-7-enyl acetate is a carbon-based organic compound with CAS registry number 94481-73-9 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94481-73-9
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: (S)-3,7-dimethyloct-7-enyl acetate · (S)-3,7-二甲基辛-7-烯基乙酸酯
Category: organic chemicals
The CAS registry number of (S)-3,7-dimethyloct-7-enyl acetate is 94481-73-9.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: (S)-3,7-dimethyloct-7-enyl acetate, (S)-3,7-二甲基辛-7-烯基乙酸酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 7-Octen-1-ol, 3, 7-dimethyl-, 1-acetate: ACTIVE.
Category: Organic Chemicals.
Independent reference data for (S)-3,7-dimethyloct-7-enyl acetate (CAS 94481-73-9), compiled from public chemistry databases.
| CAS 号 | 94481-73-9 |
|---|---|
| PubChem CID | 8833 |
| 分子式 | C12H22O2 |
| IUPAC 名称 | 3,7-dimethyloct-7-enyl acetate |
| UNII（FDA） | NS00013173 |
| FEMA 编号 | 2981 |
| JECFA 编号 | 60 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 237 °C |
|---|---|
| Density | 0.895-0.908 |
| Refractive Index | 1.450-1.458 |
Rhodinyl acetate; 141-11-7; 3,7-dimethyloct-7-en-1-yl acetate; 3,7-dimethyloct-7-enyl acetate; alpha-Citronellyl acetate; 7-Octen-1-ol, 3,7-dimethyl-, 1-acetate; 7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE; 3,7-Dimethyl-7-octen-1-yl acetate; 3,7-Dimethyl-7-octen-1-yl ethanoate; Rhodinyl ethanoate; Rhodinol acetate; (S)-3,7-Dimethyloct-7-enyl acetate; EINECS 205-458-7; BRN 1906633; FEMA 2981; .alpha.-Citronellyl acetate
| 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 Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H315 (97.3%), H319 (89.4%), H411 (97.3%) |
|---|
(S)-3,7-二甲基辛-7-烯基乙酸酯 · CAS 94481-73-9 · C12H22O2. UNII NS00013173. Boiling Point: 237 °C; Density: 0.895-0.908; Refractive Index: 1.450-1.458.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (S)-3,7-二甲基辛-7-烯基乙酸酯