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Key Documents

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A37804

Sigma-Aldrich

2′-Aminoacetophenone

98%

Sinónimos:

2-Acetylaniline

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About This Item

Fórmula lineal:
H2NC6H4COCH3
Número de CAS:
551-93-9
Peso molecular:
135.16
Beilstein/REAXYS Number:
386122
EC Number:
209-002-8
MDL number:
MFCD00007717
UNSPSC Code:
12352100
PubChem Substance ID:
24890810
NACRES:
NA.22

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.614 (lit.)

bp

85-90 °C/0.5 mmHg (lit.)

density

1.112 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)c1ccccc1N

InChI

1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3

InChI key

GTDQGKWDWVUKTI-UHFFFAOYSA-N

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

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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Certificados de análisis (COA)

Lot/Batch Number
0000236778
SHBL4922
MKBX0258V
MKBR0584V
MKBN5864V

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N Christoph et al.
Advances in experimental medicine and biology, 467, 659-669 (2000-03-18)
Tryptophan (TRP) and its metabolites are considered as potential precursors of 2-aminoacetophenone (AAP) in different food products causing different off-flavors. AAP is also responsible for the "untypical aging flavor (UTA)" in wine, developing a floor polish-like flavor in white wines
R E Page et al.
Experientia, 44(3), 270-271 (1988-03-15)
o-Aminoacetophenone is a pheromone produced by virgin honeybee queens and released with feces. In small social groups, the pheromone repels and is used to terminate agonistic interactions between queens and workers.
Andrew P Worth et al.
Methods in molecular biology (Clifton, N.J.), 930, 125-162 (2012-10-23)
In this chapter, a range of computational tools for applying QSAR and grouping/read-across methods are described, and their integrated use in the computational assessment of genotoxicity is illustrated through the application of selected tools to two case-study compounds-2-amino-9H-pyrido[2,3-b]indole (AαC) and
Madhushree Y Gokhale et al.
Journal of pharmaceutical sciences, 98(12), 4639-4649 (2009-06-25)
Glycosylation reaction kinetics of a series of aromatic amines (kynurenine, 2'-aminoacetophenone, daptomycin, and sulfamethoxazole) was compared to propose a unifying reaction mechanism. Kinetic studies were conducted in aqueous solutions containing glucose in the pH range 1-6.5 with 2'-aminoacetophenone and daptomycin.
Katrin Hoenicke et al.
Journal of agricultural and food chemistry, 50(15), 4303-4309 (2002-07-11)
Kynurenine (1) and indole-3-acetic acid (2) are considered as potential precursors of 2-aminoacetophenone (3), which is regarded to be the aroma impact compound causing an "untypical aging off-flavor" (UTA) in Vitis vinifera wines. The mechanism of the formation of 3
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