B88403
3,3-二甲基丁酸
98%
别名:
叔丁基乙酸
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关于此项目
线性分子式:
(CH3)3CCH2COOH
化学文摘社编号:
分子量:
116.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
213-982-2
Beilstein/REAXYS Number:
1740427
MDL number:
产品名称
3,3-二甲基丁酸, 98%
InChI key
MLMQPDHYNJCQAO-UHFFFAOYSA-N
InChI
1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
SMILES string
CC(C)(C)CC(O)=O
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.)
Quality Level
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signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
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
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
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
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
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
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