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410659

Sigma-Aldrich

4-Hydroxy-3-methoxyphenylacetone

96%

Synonym(s):

1-(4-Hydroxy-3-methoxyphenyl)-2-propanone, 2-Propiovanillone, 4-Hydroxy-3-methoxyphenyl-2-propanone, Guaiacylacetone, Methyl vanillyl ketone, Vanillyl methyl ketone

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About This Item

Linear Formula:
HOC6H3(OCH3)CH2COCH3
CAS Number:
2503-46-0
Molecular Weight:
180.20
EC Number:
219-704-6
MDL number:
MFCD00130260
UNSPSC Code:
12352100
PubChem Substance ID:
24865542
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

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

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBL2661
STBK4127
STBJ5251
STBH6557
STBG9279

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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
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
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)
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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