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W242918

Sigma-Aldrich

2-Ethylbutyric acid

≥98%, FCC, FG

Synonym(s):

Diethylacetic acid

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About This Item

Linear Formula:
(C2H5)2CHCO2H
CAS Number:
88-09-5
Molecular Weight:
116.16
FEMA Number:
2429
Beilstein/REAXYS Number:
1098634
EC Number:
201-796-4
Council of Europe no.:
2001
MDL number:
MFCD00002670
UNSPSC Code:
12164502
PubChem Substance ID:
24901070
Flavis number:
8.045
NACRES:
NA.21

biological source

synthetic

grade

FG
Fragrance grade
Halal

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor pressure

0.08 mmHg ( 20 °C)

assay

≥98%

refractive index

n20/D 1.413 (lit.)

bp

99-101 °C/18 mmHg (lit.)

mp

−16-−13 °C (lit.)

density

0.92 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

organoleptic

berry; fruity; acidic

SMILES string

CCC(CC)C(O)=O

InChI

1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChI key

OXQGTIUCKGYOAA-UHFFFAOYSA-N

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Related Categories

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Eye Irrit. 2 - Skin Irrit. 2 - STOT RE 2 Oral

target_organs

Blood,Liver,Kidney

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

188.6 °F - closed cup

flash_point_c

87 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1535
SHBN9732
STBH7781
STBJ0318
STBG9384

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Yadong Zhong et al.
The British journal of nutrition, 113(10), 1558-1570 (2015-04-14)
Mixed-linkage β-glucans are fermented by the colon microbiota that give rise to SCFA. Propionic and butyric acids have been found to play an important role in colonic health, as well as they may have extraintestinal metabolic effects. The aim of
Daniela Graf et al.
Nutrients, 11(8) (2019-08-14)
Dietary pulses, including lentils, are protein-rich plant foods that are enriched in intestinal health-promoting bioactives, such as non-digestible carbohydrates and phenolic compounds. The aim of this study was to investigate the effect of diets supplemented with cooked red lentils on
Yuanyuan Shi et al.
Bioorganic & medicinal chemistry letters, 17(16), 4491-4494 (2007-06-15)
Valproic (2-propylpentanoic) acid is a commonly used drug in the treatment of bipolar disorder and epilepsy. The molecular mechanism that underlies its clinical efficacy remains controversial and is complicated by the broad range of intracellular effects of valproic acid, including
Caroline Thum et al.
Frontiers in nutrition, 7, 91-91 (2020-08-01)
Lipids in milk are secreted as a triacylglycerol core surrounded by a trilayer membrane, the milk fat globule membrane (MFGM). This membrane, known to have important roles in infant brain and intestinal development, is composed of proteins, glycoproteins, and complex
Alexander Duscha et al.
Cell, 180(6), 1067-1080 (2020-03-12)
Short-chain fatty acids are processed from indigestible dietary fibers by gut bacteria and have immunomodulatory properties. Here, we investigate propionic acid (PA) in multiple sclerosis (MS), an autoimmune and neurodegenerative disease. Serum and feces of subjects with MS exhibited significantly
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