W354503
3-羟基己酸乙酯
≥98%, FG
别名:
3-hydroxyhexanoic acid ethyl ester, Ethyl 3-hydroxy caproate
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关于此项目
线性分子式:
CH3CH2CH2CH(OH)CH2CO2C2H5
CAS Number:
分子量:
160.21
FEMA编号:
3545
EC 号:
欧洲委员会编号:
4101
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
9.535
NACRES:
NA.21
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
meets purity specifications of JECFA
生物来源
synthetic
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
方案
≥98%
折射率
n20/D 1.428 (lit.)
沸点
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).
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
201.2 °F - closed cup
闪点(°C)
94 °C - closed cup
个人防护装备
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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 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)
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)
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