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Merck
CN

W243728

庚酸乙酯

greener alternative

natural, ≥98%, FG

别名:

水芹酸乙酯

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线性分子式:
CH3(CH2)5COOC2H5
化学文摘社编号:
106-30-9
分子量:
158.24
FEMA Number:
2437
Council of Europe no.:
365c
UNSPSC Code:
12164502
PubChem Substance ID:
24901081
Flavis number:
9.093
EC Number:
203-382-9
NACRES:
NA.21
MDL number:
MFCD00009538
Beilstein/REAXYS Number:
1752311
Organoleptic:
melon; fruity; pineapple; rum
Grade:
FG
Fragrance grade
Kosher
natural
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

主要文件

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产品名称

庚酸乙酯, natural, ≥98%, FG

SMILES string

CCCCCCC(=O)OCC

InChI

1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

InChI key

TVQGDYNRXLTQAP-UHFFFAOYSA-N

grade

FG
Fragrance grade
Kosher
natural

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

assay

≥98%

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 1.412 (lit.)

bp

188-189 °C (lit.)

mp

−66 °C (lit.)

density

0.87 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

melon; fruity; pineapple; rum

Quality Level

300
400

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相关类别

General description

Ethyl heptanoate is one of the key flavor volatiles identified in Luzhou-flavor raw spirits and gingko wine.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

165.2 °F - closed cup

flash_point_c

74 °C - closed cup

ppe

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBP4811
MKCH0855
MKCG4014
MKCF4191
MKCD1826

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Volatile compounds of raw spirits from different distilling stages of Luzhou-flavor spirit
Zheng, Jia, et al
Food Science and Technology Research, 20(2), 283-293 (2014)
Mohammad Rafienia et al.
Current drug delivery, 6(2), 184-191 (2009-05-20)
In situ forming biodegradable polymeric systems were prepared from Poly (DL-lactide-co-glycolide), RG504H (50:50, lactide:glycolide), RG756 (75:25) and mixture of them. They were dissolved in N-methyl-2-pyrrolidone (33% w/w) and mixed with betamethasone acetate (BTMA, 5 and 10% w/w) and ethyl heptanoate
Monographs on fragrance raw materials.
D L Opdyke
Food and cosmetics toxicology, 19(2), 237-254 (1981-04-01)
J Enrique Cometto-Muñiz et al.
Experimental brain research, 158(2), 196-206 (2004-04-28)
A series of experiments probed into the degree of chemosensory detection additivity exhibited by mixtures of ethyl propanoate and heptanoate in terms of their trigeminal detectability via nasal pungency (i.e., irritation) and eye irritation. Nasal pungency was tested in subjects
J Enrique Cometto-Muñiz et al.
Behavioural brain research, 156(1), 115-123 (2004-10-12)
The investigation explored the olfactory detectability of two chemically and structurally similar esters, ethyl propanoate and ethyl heptanoate, presented singly and in mixtures. Initially, we measured concentration-detection (i.e., psychometric) functions for the odor of ethyl propanoate and ethyl heptanoate presented
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