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CN
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主要文件

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安全信息

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:
108-64-5
分子量:
130.18
FEMA编号:
2463
Beilstein:
1744677
EC 号:
203-602-3
欧洲委员会编号:
442
MDL编号:
MFCD00009203
UNSPSC代码:
12164502
eCl@ss:
39022323
PubChem化学物质编号:
24901110
Flavis编号:
9.447
NACRES:
NA.21
性状检查:
apple; fruity; pineapple; sweet
等级:
FG
Fragrance grade
Halal
Kosher
生物来源:
synthetic
Agency:
(EU Regulation 1223/2009)
 (follows IFRA guidelines)
meets purity specifications of JECFA
食品过敏原:
no known allergens

生物来源

synthetic

质量水平

400

等级

FG
Fragrance grade
Halal
Kosher

Agency

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

管理合规性

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

蒸汽压

7.5 mmHg ( 20 °C)

方案

≥98%

折射率

n20/D 1.396 (lit.)

沸点

131-133 °C (lit.)

mp

−99 °C (lit.)

密度

0.864 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

apple; fruity; pineapple; sweet

SMILES字符串

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

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相关类别

一般描述

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

象形图

Flame
GHS02

警示用语：

Warning

危险声明

H226

危险分类

Flam. Liq. 3

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

80.6 °F - closed cup

闪点(°C)

27 °C - closed cup

个人防护装备

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

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBQ0497
SHBP0490
SHBN1778
SHBM5818
SHBM5817

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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
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
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
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