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Merck

W222216

Isobutyric acid

greener alternative

natural, ≥99%, FCC, FG

Sinónimos:

2-Methylpropionic acid

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Fórmula lineal:
(CH3)2CHCO2H
Número CAS:
79-31-2
Peso molecular:
88.11
FEMA Number:
2222
Council of Europe no.:
6c
UNSPSC Code:
12164502
PubChem Substance ID:
24900937
Flavis number:
8.006
EC Number:
201-195-7
NACRES:
NA.21
MDL number:
MFCD00002658
Beilstein/REAXYS Number:
635770
Organoleptic:
butter; acidic; rancid
Grade:
FG, Fragrance grade, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

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SMILES string

CC(C)C(O)=O

InChI

1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChI key

KQNPFQTWMSNSAP-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, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

vapor density

3.04 (vs air)

vapor pressure

1.5 mmHg ( 20 °C)

assay

≥99%

autoignition temp.

824 °F

expl. lim.

10 %

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

Quality Level

300, 400

refractive index

n20/D 1.393 (lit.)

bp

153-154 °C (lit.)

mp

−47 °C (lit.)

density

0.95 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

butter; acidic; rancid

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General description

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".

Other Notes

Natural occurrence: Roman chamomile, strawberry, dairy products.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 1

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup

ppe

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

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Certificados de análisis (COA)

Lot/Batch Number
SHBQ1376
SHBN5823
SHBM1852
MKCJ3482
MKCD3322

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E M Faed et al.
Clinical and experimental pharmacology & physiology, 5(2), 195-198 (1978-03-01)
1. Two main conjugates of CPIB (2-[chlorophenoxy]-2-methylpropionic acid) are present in the urine of subjects taking clofibrate. The metabolites can be separated by thin-layer chromatography (TLC). 2. Both conjugates are hydrolysed by dilute alkali, but only one is hydrolysed by
A Vyalikh et al.
Physical chemistry chemical physics : PCCP, 9(18), 2249-2257 (2007-05-10)
Solid state deuterium NMR has been used to study the molecular motion of d(6)-isobutyric acid (d(6)-iBA) in the pure (unconfined) state and confined in the cylindrical pores of two periodic mesoporous silica materials (MCM-41, pore size 3.3 nm and SBA-15
Ritu Lal et al.
The Journal of pharmacology and experimental therapeutics, 330(3), 911-921 (2009-06-09)
Baclofen is a racemic GABA(B) receptor agonist that has a number of significant pharmacokinetic limitations, including a narrow window of absorption in the upper small intestine and rapid clearance from the blood. Arbaclofen placarbil is a novel transported prodrug of
Nicoletta Beffagna et al.
Journal of experimental botany, 58(15-16), 4183-4194 (2007-11-28)
In Arabidopsis thaliana cells, fusicoccin (FC) treatment induced an early and marked increase in the extracellular H(2)O(2) level. It also increased the huge hypo-osmotic stress-induced oxidative wave and, in addition, prevented the H(2)O(2) peak drop. These effects were apparently not
Julia Biermann et al.
Molecular vision, 17, 395-403 (2011-02-12)
Histone deacetylase inhibitors (HDACi) have neuroprotective effects under various neurodegenerative conditions, e.g., after optic nerve crush (ONC). HDACi-mediated protection of central neurons by increased histone acetylation has not previously been demonstrated in rat retinal ganglion cells (RGCs), although epigenetic changes
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