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Merck
CN

W322120

己酸苯乙酯

greener alternative

natural (US), ≥97%, FG

别名:

Phenethyl caproate

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线性分子式:
CH3(CH2)4CO2CH2CH2C6H5
化学文摘社编号:
6290-37-5
分子量:
220.31
FEMA Number:
3221
UNSPSC Code:
12164502
Flavis number:
09.261
NACRES:
NA.21
MDL number:
MFCD00027279
Organoleptic:
honey; floral; woody; waxy; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural (US)
Biological source:
botanical
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

主要文件

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SMILES string

CCCCCC(=O)OCCc1ccccc1

InChI key

BUYNWUMUDHPPDS-UHFFFAOYSA-N

InChI

1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3

biological source

botanical

grade

FG, Fragrance grade, Halal, Kosher, natural (US)

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117

assay

≥97%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.486 (lit.)

density

0.971 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

honey; floral; woody; waxy; sweet

Quality Level

300

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General description

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Application

Phenethyl hexanoate is an ester found naturally in red wine, stinkhorn mushrooms, fermented leaves of Cassia obtusifolia, etc. It is used commercially as a flavor ingredient.

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBQ9365
MKCH5420

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Constituents of Kawal, fermented Cassia obtusifolia leaves, a traditional food from Chad.
Mbaiguinam M, et al.
African Journal of Biotechnology, 4(10) (2005)
Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography.
Kozlovskiy, M, et al.
The Journal of Chemical Thermodynamics, 86(10), 65-74 (2015)
Aroma recovery in wine dealcoholization by SCC distillation.
Belisario-Sanchez YY, et al.
Food and Bioprocess Technology, 5(6), 2529-2539 (2012)
Volatile compounds in stinkhorn (Phallus impudicus L. ex Pers.) at different stages of growth.
Pudil F, et al.
European Scientific Journal, 10(9) (2014)

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