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W354503

Sigma-Aldrich

3-羟基己酸乙酯

≥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號碼:
3545
EC號碼:
218-973-7
歐洲委員會號碼:
4101
MDL號碼:
MFCD00036604
分類程式碼代碼:
12164502
PubChem物質ID:
24901773
Flavis號碼:
9.535
NACRES:
NA.21

生物源

synthetic

品質等級

400

等級

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

法律遵循

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

化驗

≥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.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

香料過敏原

no known allergens

感官的

grape; green; citrus; fruity; sweet

SMILES 字串

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 密鑰

LYRIITRHDCNUHV-UHFFFAOYSA-N

相关类别

一般說明

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

應用


  • 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).


儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

201.2 °F - closed cup

閃點（°C）

94 °C - closed cup

個人防護裝備

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

分析证书(COA)

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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)
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)
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)
Volatile constituents from Tamarillo (Cyphomandra betacea Sendtn.) fruit.
Torrado A, et al.
Flavour and Fragrance Journal, 10(6), 349-354 (1995)
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)
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