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Merck
CN

W246301

异戊酸乙酯

≥98%, FCC, FG

别名:

3-methyl butanoic acid ethyl ester, Ethyl 3-methyl butyrate, Ethyl 3-methylbutanoate

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关于此项目

线性分子式:
(CH3)2CHCH2COOC2H5
化学文摘社编号:
108-64-5
分子量:
130.18
FEMA Number:
2463
Council of Europe no.:
442
UNSPSC Code:
12164502
eCl@ss:
39022323
PubChem Substance ID:
24901110
Flavis number:
9.447
EC Number:
203-602-3
NACRES:
NA.21
MDL number:
MFCD00009203
Beilstein/REAXYS Number:
1744677
Organoleptic:
apple; fruity; pineapple; sweet
Grade:
FG
Halal
Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

主要文件

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产品名称

异戊酸乙酯, ≥98%, FCC, FG

SMILES string

CCOC(=O)CC(C)C

InChI

1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

InChI key

PPXUHEORWJQRHJ-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor pressure

7.5 mmHg ( 20 °C)

assay

≥98%

refractive index

n20/D 1.396 (lit.)

bp

131-133 °C (lit.)

mp

−99 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; fruity; pineapple; sweet

Quality Level

300
400

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相关类别

General description

Ethyl isovalerate is a flavor ester that occurs naturally in fruits such as pineapple, banana etc.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBT1436
SHBS5747
SHBQ0497
SHBP0490
SHBN1778

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Chemical Studies of Pineapple (Ananas sativus Lindl). I. The Volatile Flavor and Odor Constituents of Pineapple1
Haagen-Smit AJ, et al.
Journal of the American Chemical Society, 10, 1646-1650 (1945)
Optimization of solid-phase microextraction analysis for studying the change of headspace flavor compounds of banana during ripening
Liu TT & Yang TS
Journal of Agricultural and Food Chemistry, 50(4), 653-657 (2002)
Pascal Fuchsmann et al.
Journal of chromatography. A, 1601, 60-70 (2019-06-11)
Headspace in-tube extraction (HS-ITEX) and solid phase microextraction (HS-SPME) sampling, followed by gas chromatography-mass spectrometry (GC-MS), are widely used to analyze volatile compounds in various food matrices. While the extraction efficiency of volatile compounds from foodstuffs is crucial for obtaining
David A Camarena-Pozos et al.
Plant, cell & environment, 42(4), 1368-1380 (2018-11-01)
The plant microbiota can affect host fitness via the emission of microbial volatile organic compounds (mVOCs) that influence growth and development. However, evidence of these molecules and their effects in plants from arid ecosystems is limited. We screened the mVOCs
Johannes Niebler et al.
Phytochemistry, 109, 66-75 (2014-12-04)
Frankincense has been known, traded and used throughout the ages for its exceptional aroma properties, and is still commonly used in both secular and religious settings to convey a pleasant odor. Surprisingly, the odoriferous principle(s) underlying its unique odor profile
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