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Merck
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Key Documents

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B88403

Sigma-Aldrich

3,3-Dimethylbutyric acid

98%

Sinónimos:

tert-Butylacetic acid

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About This Item

Fórmula lineal:
(CH3)3CCH2COOH
Número de CAS:
1070-83-3
Peso molecular:
116.16
Beilstein/REAXYS Number:
1740427
EC Number:
213-982-2
MDL number:
MFCD00002715
UNSPSC Code:
12352100
PubChem Substance ID:
24892098
NACRES:
NA.22

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.411 (lit.)

bp

185-190 °C (lit.)

mp

−11 °C (lit.)

density

0.912 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)CC(O)=O

InChI

1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)

Inchi Key

MLMQPDHYNJCQAO-UHFFFAOYSA-N

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

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

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Alex J Krotulski et al.
Journal of forensic sciences, 64(5), 1451-1461 (2019-07-02)
This is the first report regarding the characterization of the new synthetic cannabinoid 4F-MDMB-BINACA. 4F-MDMB-BINACA was first analytically confirmed in seized drug material using gas chromatography-mass spectrometry (GC-MS), liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOF), and nuclear magnetic resonance (NMR) spectroscopy.
Elham Zahiri et al.
Journal of chromatography. A, 1627, 461390-461390 (2020-08-22)
A dispersive solid phase extraction method was combined with deep eutectic solvent-based solidification of floating organic drop-dispersive liquid-liquid microextraction and used for the extraction/preconcentration of some organophosphorus pesticides residues from edible oil samples. The extracted analytes were quantified with gas
Alex J Krotulski et al.
Drug testing and analysis, 13(2), 427-438 (2020-10-01)
A new class of synthetic cannabinoids has emerged as new psychoactive substances (NPS). Similar in structure to JWH-022, these substances contain alkene modifications to the tail region of the synthetic cannabinoid core structure, and nomenclature denotes these new analogues as
Wen Lie et al.
Archives of toxicology, 95(2), 489-508 (2020-11-26)
5F-MDMB-PINACA and 4F-MDMB-BINACA are synthetic cannabinoids (SCs) that elicit cannabinoid psychoactive effects. Defining pharmacokinetic-pharmacodynamic (PK-PD) relationships governing SCs and their metabolites are paramount to investigating their in vivo toxicological outcomes. However, the disposition kinetics and cannabinoid receptor (CB) activities of
James Chun Yip Chan et al.
Journal of pharmaceutical and biomedical analysis, 138, 43-53 (2017-02-09)
A novel liquid chromatography tandem mass spectrometry (LCMSMS) method for the quantitative measurement of gut microbial-derived short-chain fatty acids (SCFAs) in human infant stool has been developed and validated. Baseline chromatographic resolution was achieved for 12 SCFAs (acetic, butyric, caproic
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