1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯(CAS 57576-09-7):分子式 C12H20O2、分子量 196.29。
| CAS号 | 57576-09-7 |
|---|---|
| 分子式 | C12H20O2 |
| 分子量 | 196.29 |
| 沸点 | 232 °C; 104-105 °C (10 mm Hg) |
| LogP | 3.5 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Cyclohexanol、5-methyl-2-(1-methylethenyl)-、1-acetate、(1R、2S、5R)-: ACTIVE |
登记用途:Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Cyclohexanol、5-methyl-2-(1-methylethenyl)-、1-acetate、(1R、2S、5R)-: ACTIVE。
1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯 是一种化工化合物,登记 CAS 号为 57576-09-7,分子式 C12H20O2(分子量 196.29)。
登记 CAS 号:57576-09-7
其分子式 C12H20O2 由 12 个碳、20 个氢、2 个氧 组成。
别名/同义词:1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯 · isopulegyl acetate
1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯 的 CAS 登记号为 57576-09-7。
分子式 C12H20O2,分子量 196.29。
别名/同义词:1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯、isopulegyl acetate。
登记用途:Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Cyclohexanol、5-methyl-2-(1-methylethenyl)-、1-acetate、(1R、2S、5R)-: ACTIVE。
1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯(CAS 57576-09-7)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 57576-09-7 |
|---|---|
| PubChem CID | 94579 |
| 分子式 | C12H20O2 |
| 分子量 | 196.15 g/mol |
| IUPAC 名称 | [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate |
| InChIKey | HLHIVJRLODSUCI-ADEWGFFLSA-N |
| UNII(FDA) | R3C4VQ5WQM |
| ChEBI 编号 | CHEBI:172063 |
| FEMA 编号 | 2965 |
| JECFA 编号 | 756 |
| Molecular Weight | 196.29 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 196.146329876 |
| Monoisotopic Mass | 196.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 232 °C; 104-105 °C (10 mm Hg) |
|---|---|
| Density | 0.929-0.936 |
| Refractive Index | 1.454-1.457 |
Isopulegyl acetate; 57576-09-7; FEMA No. 2965; R3C4VQ5WQM; [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate; NSC-403868; DTXSID60904398; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (1R,2S,5R)-; ((1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate; RefChem:792271; DTXCID401333553; 260-820-1; Isopulegol acetate; ISOPULEGOLACETATE; (1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate; neo-iso-isopulegol 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 Leaf, Mint No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 99.9% (1625 / 1626) |
| GHS 通报统计 | 99.9% (1625 / 1626) |
|---|---|
| 已通报的危害声明 | H351, H372 |
1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯 的 CAS 号为 57576-09-7,分子式 C12H20O2,分子量 196.15 g/mol。 UNII R3C4VQ5WQM; ChEBI 172063; InChIKey HLHIVJRLODSUCI-ADEWGFFLSA-N. Boiling Point: 232 °C; 104-105 °C (10 mm Hg); Density: 0.929-0.936; Refractive Index: 1.454-1.457.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: isopulegyl acetate