1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE (CAS 7549-37-3) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2, 6-Octadiene, 1, 1-dimethoxy-3, 7-dimethyl-: ACTIVE.
1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE is a carbon-based organic compound with CAS registry number 7549-37-3 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7549-37-3
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: 1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE · citral dimethyl acetal, mixture of cis and T · Citral dimethyl acetal
Category: organic chemicals
The CAS registry number of 1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE is 7549-37-3.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: 1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE, citral dimethyl acetal, mixture of cis and T, Citral dimethyl acetal.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2, 6-Octadiene, 1, 1-dimethoxy-3, 7-dimethyl-: ACTIVE.
Category: Organic Chemicals.
Public-database records for 1,1-DIMETHOXY-3,7-DIMETHYL-2,6-OCTADIENE (CAS 7549-37-3), reproduced here for independent cross-checking.
| GHS 通报统计 | 97.5% (1564 / 1604) |
|---|
| 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 Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 97.5% (1564 / 1604) |
| 沸点 | 105-106 °C (10 mm Hg) |
|---|---|
| 密度 | 0.881-0.893 |
| 折射率 | 1.450-1.463 |
| CAS 号 | 7549-37-3 |
|---|---|
| PubChem CID | 24191 |
| 分子式 | C12H22O2 |
| 分子量 | 198.16 g/mol |
| IUPAC 名称 | 1,1-dimethoxy-3,7-dimethylocta-2,6-diene |
| InChIKey | ZSKAJFSSXURRGL-UHFFFAOYSA-N |
| UNII（FDA） | 6ZOD5NW633 |
| ChEBI 编号 | CHEBI:132331 |
| FEMA 编号 | 2305 |
| JECFA 编号 | 944 |
7549-37-3； 2,6-辛二烯，1,1-二甲氧基-3,7-二甲基-； DTXSID8044832； DTXCID6024832；飞燕：132331；参考化学：577448； 3,7-二甲基-2,6-辛二烯基二甲基缩醛； 231-434-0； 1,1-二甲氧基-3,7-二甲基辛-2,6-二烯； 2,6-辛二烯，1,1-二甲氧基-3,7-二甲基-，（顺式和反式）； 3,7-二甲基-2,6-辛二醛二甲基缩醛； 6ZOD5NW633；柠檬醛二甲缩醛；柠檬醛二甲缩醛； FEMA 编号 2305； 1,1-二甲氧基-3,7-二甲基-辛-2,6-二烯
| 分子量 | 198.30 |
|---|---|
| XLogP3 | 3.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 198.161979940 |
| 单同位素质量 | 198.161979940 |
| 拓扑极性表面积 | 18.5 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
柠檬醛二甲缩醛 的 CAS 号为 7549-37-3，分子式 C12H22O2，分子量 198.16 g/mol。 UNII 6ZOD5NW633; ChEBI 132331; InChIKey ZSKAJFSSXURRGL-UHFFFAOYSA-N. 沸点: 105-106 °C (10 mm Hg); 密度: 0.881-0.893; Refractive Index: 1.450-1.463.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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