(R,S)-3-羟基丁酸l-薄荷酯(CAS 374629-79-5):分子式 C14H26O3、分子量 242.35。
| CAS号 | 374629-79-5 |
|---|---|
| 分子式 | C14H26O3 |
| 分子量 | 242.35 |
| 沸点 | 95-97 °C (0.5 mm Hg) |
| LogP | 3.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-hydroxy-、5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE |
登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-hydroxy-、5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE。
(R,S)-3-羟基丁酸l-薄荷酯 是一种化工化合物,登记 CAS 号为 374629-79-5,分子式 C14H26O3(分子量 242.35)。
登记 CAS 号:374629-79-5
其分子式 C14H26O3 由 14 个碳、26 个氢、3 个氧 组成。
别名/同义词:(R,S)-3-羟基丁酸l-薄荷酯 · l-Menthyl (R,S)-3-hydroxybutyrate
(R,S)-3-羟基丁酸l-薄荷酯 的 CAS 登记号为 374629-79-5。
分子式 C14H26O3,分子量 242.35。
别名/同义词:(R,S)-3-羟基丁酸l-薄荷酯、l-Menthyl (R,S)-3-hydroxybutyrate。
登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-hydroxy-、5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE。
(R,S)-3-羟基丁酸l-薄荷酯(CAS 374629-79-5)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 374629-79-5 |
|---|---|
| PubChem CID | 10220444 |
| Molecular formula | C14H26O3 |
| Molecular weight | 242.19 g/mol |
| IUPAC name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxybutanoate |
| InChIKey | XSJPRWBZLUYOOI-IBSWDFHHSA-N |
| UNII (FDA) | R1RL1R4516 |
| ChEBI ID | CHEBI:174254 |
| FEMA number | 4308 |
| JECFA number | 1855 |
| Molecular Weight | 242.35 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 242.18819469 |
| Monoisotopic Mass | 242.18819469 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 17 |
| Boiling Point | 95-97 °C (0.5 mm Hg) |
|---|---|
| Density | 0.972-0.985 |
| Refractive Index | 1.454-1.464 |
L-Menthyl (R,S)-3-hydroxybutyrate; Menthyl methyl lactate; Menthyl 3-hydroxybutyrate, (-)-; FEMA no. 4308; UNII-R1RL1R4516; R1RL1R4516; 374629-79-5; 3-Hydroxybutanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester; Butanoic acid, 3-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester; DTXSID00190899; (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 3-hydroxybutanoate; MENTHYL 3-HYDROXYBUTYRATE, L-; L-MENTHYL (R,S)-3-HYDROXYBUTYRATE [FHFI]; RefChem:156496; DTXCID90113390; 108766-16-1
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Mint, Cool No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/141 |
|---|
l-Menthyl (R,S)-3-hydroxybutyrate is identified by CAS 374629-79-5, molecular formula C14H26O3 and molecular weight 242.19 g/mol. UNII R1RL1R4516; ChEBI 174254; InChIKey XSJPRWBZLUYOOI-IBSWDFHHSA-N. Boiling Point: 95-97 °C (0.5 mm Hg); Density: 0.972-0.985; Refractive Index: 1.454-1.464.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: l-Menthyl (R,S)-3-hydroxybutyrate