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About This Item
Linear Formula:
HOC6H3(OCH3)CH2COCH3
CAS Number:
Molecular Weight:
180.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
219-704-6
MDL number:
Assay:
96%
Form:
liquid
Quality Level
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
SMILES string
COc1cc(CC(C)=O)ccc1O
InChI
1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
InChI key
LFVCJQWZGDLHSD-UHFFFAOYSA-N
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
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
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Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes.
Zhao C, et al.
J. Catal., 280(1), 8-16 (2011)
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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 410659-5G | 04061836685249 |
