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Merck

W246301

Sigma-Aldrich

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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About This Item

线性分子式:
(CH3)2CHCH2COOC2H5
CAS号:
分子量:
130.18
FEMA號碼:
2463
Beilstein:
1744677
EC號碼:
歐洲委員會號碼:
442
MDL號碼:
分類程式碼代碼:
12164502
eCl@ss:
39022323
PubChem物質ID:
Flavis號碼:
9.447
NACRES:
NA.21

生物源

synthetic

品質等級

等級

FG
Fragrance grade
Halal
Kosher

agency

(EU Regulation 1223/2009)
(follows IFRA guidelines)
meets purity specifications of JECFA

法律遵循

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

蒸汽壓力

7.5 mmHg ( 20 °C)

化驗

≥98%

折射率

n20/D 1.396 (lit.)

bp

131-133 °C (lit.)

mp

−99 °C (lit.)

密度

0.864 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

apple; fruity; pineapple; sweet

SMILES 字串

CCOC(=O)CC(C)C

InChI

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

InChI 密鑰

PPXUHEORWJQRHJ-UHFFFAOYSA-N

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一般說明

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

象形圖

Flame

訊號詞

Warning

危險聲明

危險分類

Flam. Liq. 3

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

80.6 °F - closed cup

閃點(°C)

27 °C - closed cup

個人防護裝備

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


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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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