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W354503

3-羟基己酸乙酯

Name: 3-羟基己酸乙酯
Brand: ALDRICH

≥98%, FG

别名:

3-hydroxyhexanoic acid ethyl ester, Ethyl 3-hydroxy caproate

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About This Item

线性分子式:

CH₃CH₂CH₂CH(OH)CH₂CO₂C₂H₅

CAS号:

2305-25-1

分子量:

160.21

FEMA编号:

3545

EC 号:

218-973-7

欧洲委员会编号:

4101

MDL编号:

MFCD00036604

UNSPSC代码:

12164502

PubChem化学物质编号:

24901773

Flavis编号:

9.535

NACRES:

NA.21

生物来源

synthetic

质量水平

400

等级

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

管理合规性

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

检测方案

≥98%

折射率

n20/D 1.428 (lit.)

bp

90-92 °C/14 mmHg (lit.)

密度

0.974 g/mL at 25 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

grape; green; citrus; fruity; sweet

SMILES字符串

CCCC(O)CC(=O)OCC

InChI

1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3

InChI key

LYRIITRHDCNUHV-UHFFFAOYSA-N

一般描述

Ethyl 3-hydroxyhexanoate is the key volatile flavor compound of orange juice. It also occurs in pineapple, wood apple, caja fruit and tamarillo fruit.

应用

Novel Antiviral Activity of Ethyl 3-Hydroxyhexanoate Against Coxsackievirus B Infection.: Discusses the potential antiviral properties of Ethyl 3-hydroxyhexanoate, positioning it as a candidate for therapeutic use against Coxsackievirus, with implications for pharmaceutical applications and virology (Olasunkanmi et al., 2022).

RIFM fragrance ingredient safety assessment, ethyl 3-hydroxyhexanoate, CAS Registry Number 2305-25-1.: A comprehensive safety assessment of Ethyl 3-hydroxyhexanoate used in fragrance formulations, emphasizing its toxicological profile and safe usage in consumer products (Api et al., 2020).

WGK

WGK 3

闪点(°F)

201.2 °F

闪点(°C)

94 °C

个人防护装备

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

分析证书(COA)

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Effect of fermentation on free and bound volatile compounds of orange juice.

Fan G, et al.

Flavour and Fragrance Journal, 24(5), 219-225 (2009)

Aroma profiles of pineapple fruit (Ananas comosus [L.] Merr.) and pineapple products.

Elss S, et al.

LWT--Food Science and Technology, 38(3), 263-274 (2005)

Identification of volatile components of caja fruit (Spondias lutea L.) and chiral analysis of 3?hydroxy aliphatic esters.

Allegrone G & Barbeni M.

Flavour and Fragrance Journal, 7(6), 337-342 (1992)

Volatile constituents from Tamarillo (Cyphomandra betacea Sendtn.) fruit.

Torrado A, et al.

Flavour and Fragrance Journal, 10(6), 349-354 (1995)

Volatile flavor components of wood apple (Feronia limonia) and a processed product.

MacLeod AJ & Pieris NM.

Journal of Agricultural and Food Chemistry, 29(1), 49-53 (1981)

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