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H18801

3′-Hydroxyacetophenone

Name: 3′-Hydroxyacetophenone
Brand: ALDRICH

97%

Synonym(s):

1-(3-Hydroxyphenyl)ethanone, 3-Acetylphenol, 3-Hydroxyphenylethanone, m-Hydroxyacetophenone

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About This Item

Linear Formula:

HOC₆H₄COCH₃

CAS Number:

121-71-1

Molecular Weight:

136.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24895488

EC Number:

204-494-0

Beilstein/REAXYS Number:

2040676

MDL number:

MFCD00002298

Assay:

97%

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Properties

Quality Level

100

assay

97%

bp

296 °C (lit.)

mp

90-95 °C (lit.)

density

1.1 g/mL at 25 °C (lit.)

SMILES string

CC(=O)c1cccc(O)c1

InChI

1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

InChI key

LUJMEECXHPYQOF-UHFFFAOYSA-N

Description

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pictograms

GHS07

signalword

Warning

hcodes

H315,H319

pcodes

P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

247.3 °F - closed cup

flash_point_c

119.6 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Synthesis of new UV-B light absorbents: (Acetylphenyl)glycosides with antioxidant activities.

Takashi Otani et al.

Bioorganic & medicinal chemistry letters, 18(12), 3582-3584 (2008-05-31)

m-Acetylphenyl-beta-d-glucopyranosides and m-acetylphenyl-alpha/beta-d-mannopyranosides were synthesized by the Koenigs-Knorr, Mitsunobu, and Helferich reactions as key glycosylation reactions, respectively. Their spectroscopic properties and antioxidative activities were characterized as potential ultraviolet B-ray absorbents.

Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Stefania Ferrari et al.

Journal of medicinal chemistry, 54(1), 211-221 (2010-12-04)

Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors. To identify new molecules with specificity for PTR1, we carried out a virtual screening of the Available Chemicals

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

Global Trade Item Number

SKU	GTIN
H18801-100G	04061833791653
H18801-25G	04061833791660