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(R,S)-3-羟基丁酸l-薄荷酯

CAS 374629-79-5C14H26O3MW 242.35主营产品

(R,S)-3-羟基丁酸l-薄荷酯(CAS 374629-79-5):分子式 C14H26O3、分子量 242.35。

产品概览

CAS号374629-79-5
分子式C14H26O3
分子量242.35
沸点95-97 °C (0.5 mm Hg)
LogP3.3
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

应用领域

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。

技术档案

这个产品是什么

(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)。

识别信息

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

常见问题

(R,S)-3-羟基丁酸l-薄荷酯 的 CAS 号是多少?

(R,S)-3-羟基丁酸l-薄荷酯 的 CAS 登记号为 374629-79-5。

(R,S)-3-羟基丁酸l-薄荷酯 的分子式与分子量是多少?

分子式 C14H26O3,分子量 242.35。

(R,S)-3-羟基丁酸l-薄荷酯 还有哪些别名?

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 的登记用途是什么?

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。

PubChem 公开数据

(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。

各数据库的登记标识

CAS Registry Number374629-79-5
PubChem CID10220444
Molecular formulaC14H26O3
Molecular weight242.19 g/mol
IUPAC name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxybutanoate
InChIKeyXSJPRWBZLUYOOI-IBSWDFHHSA-N
UNII (FDA)R1RL1R4516
ChEBI IDCHEBI:174254
FEMA number4308
JECFA number1855

计算分子描述符

Molecular Weight242.35
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.18819469
Monoisotopic Mass242.18819469
Topological Polar Surface Area46.5
Heavy Atom Count17

在册的理化数值

Boiling Point95-97 °C (0.5 mm Hg)
Density0.972-0.985
Refractive Index1.454-1.464

在册的记载用途

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    同义词与商品名

    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

    已收录的法规名录

    Regulatory & Food ContactFDA 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

    公开数据库对它的描述

    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.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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