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线性分子式:
HOC6H3(OCH3)CH2COCH3
化学文摘社编号:
分子量:
180.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
219-704-6
MDL number:
Assay:
96%
Form:
liquid
InChI key
LFVCJQWZGDLHSD-UHFFFAOYSA-N
InChI
1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
SMILES string
COc1cc(CC(C)=O)ccc1O
assay
96%
form
liquid
refractive index
n20/D 1.55 (lit.)
bp
126-127 °C/0.3 mmHg (lit.)
density
1.163 g/mL at 25 °C (lit.)
functional group
ketone
Quality Level
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Mary L Forsling et al.
British journal of pharmacology, 135(3), 649-656 (2002-02-09)
Methylenedioxymethamphetamine (MDMA, 'ecstasy'), widely used as a recreational drug, can produce hyponatraemia. The possibility that this could result from stimulation of vasopressin by MDMA or one of its metabolites has been investigated in vitro. Release of both oxytocin and vasopressin
J Jodynis-Liebert
Xenobiotica; the fate of foreign compounds in biological systems, 23(6), 693-701 (1993-06-01)
1. Metabolites of 1-(4-hydroxy-3-methoxyphenyl)-2-propanone (HMP-one), a smoke flavour compound, were isolated from rat urine using hydrolysis, ether extraction, t.l.c. and g.l.c. 2. Three metabolites were identified by mass spectrometry and independent synthesis, namely: 1-(3, 4-dihydroxyphenyl)-2-propanone (Met I), 1-(3, 4-dihydroxyphenyl)-2-propanol (Met
Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes.
Zhao C, et al.
J. Catal., 280(1), 8-16 (2011)
Michaela Kolb et al.
Journal of chromatography. A, 1307, 144-157 (2013-08-13)
A headspace solid-phase microextraction method with subsequent GC-MS (HS-SPME/GC-MS) was established for the quantitative analysis of volatile lignin derived phenolic monomers in complex aqueous solutions. Extraction was done using a polyacrylate fiber. The optimization of HS-SPME - parameters was performed
H J Helmlin et al.
Journal of analytical toxicology, 20(6), 432-440 (1996-10-01)
In Europe, the compound 3,4-methylenedioxymethamphetamine (MDMA, Ecstasy, Adam), in addition to cannabis, is the most abused illicit drug at all-night "techno" parties. Methods for the determination of MDMA and its metabolites, 4-hydroxy-3-methoxymethamphetamine (HMMA), 3,4-dihydroxy-methamphetamine (HHMA), 3,4-methylenedioxyamphetamine (MDA), 4-hydroxy-3-methoxyamphetamine (HMA), and
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