isopulegyl acetate (CAS 57576-09-7) — formula C12H20O2, molecular weight 196.15 g/mol; category organic chemicals.
| CAS Number | 57576-09-7 |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.15 g/mol |
| Boiling Point | 232 °C; 104-105 °C (10 mm Hg) |
| LogP | 3.5 |
| Applications | 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 |
| Category | Organic Chemicals |
Documented applications: 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.
isopulegyl acetate is a carbon-based organic compound with CAS registry number 57576-09-7 and molecular formula C12H20O2 (molecular weight 196.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 57576-09-7
Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.
Also known as: isopulegyl acetate · 1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯
Category: organic chemicals
The CAS registry number of isopulegyl acetate is 57576-09-7.
Molecular formula C12H20O2, molecular weight 196.15 g/mol.
It is also registered under: isopulegyl acetate, 1R-(1Alpha,2β,5Alpha)]-5-甲基-2-(1-甲乙烯基)环己醇乙酸酯.
Recorded applications: 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.
Category: Organic Chemicals.
Independent reference data for isopulegyl acetate (CAS 57576-09-7), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.