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Key Documents

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Safety Information

W200910

Sigma-Aldrich

Acetophenone

greener alternative

natural, 98%, FG

Synonym(s):

Methyl phenyl ketone

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About This Item

Linear Formula:
CH3COC6H5
CAS Number:
98-86-2
Molecular Weight:
120.15
FEMA Number:
2009
Beilstein:
605842
EC Number:
202-708-7
MDL number:
MFCD00008724
UNSPSC Code:
12164502
PubChem Substance ID:
329830436
Flavis number:
7.004
NACRES:
NA.21
Organoleptic:
almond; cherry; coumarin; nutty; sweet; vanilla
grade:
FG
Fragrance grade
Kosher
natural
biological source:
cassia oil
Agency:
follows IFRA guidelines
food allergen:
no known allergens

biological source

cassia oil

Quality Level

400

grade

FG
Fragrance grade
Kosher
natural

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

vapor density

4.1 (vs air)

vapor pressure

0.45 mmHg ( 25 °C)
1 mmHg ( 15 °C)

Assay

98%

form

liquid
semisolid

autoignition temp.

1058 °F

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.534 (lit.)

bp

202 °C (lit.)

mp

19-20 °C (lit.)

density

1.03 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned,

Organoleptic

almond; cherry; coumarin; nutty; sweet; vanilla

SMILES string

CC(=O)c1ccccc1

InChI

1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

InChI key

KWOLFJPFCHCOCG-UHFFFAOYSA-N

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W200910-100G-K:4548173352169
W200910-VAR-K:
W200910-500G-K:4548173352183
W200910-SAMPLE-K:
W200910-BULK-K:
W200910-1KG-K:4548173352176

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1605
SHBP0753
SHBN6015
SHBN3858
SHBL3580

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Ruben De Pauw et al.
Journal of chromatography. A, 1420, 129-134 (2015-10-20)
A new system is proposed for applying fast temperature gradients in liquid chromatography. It consists of a 0.7 mm × 150 mm fused-silica column coated with a 50 μm Nickel-layer, which is connecting with a power source and a temperature
Gabriela Antunes et al.
PloS one, 9(8), e105531-e105531 (2014-08-22)
Olfactory adaptation is a fundamental process for the functioning of the olfactory system, but the underlying mechanisms regulating its occurrence in intact olfactory sensory neurons (OSNs) are not fully understood. In this work, we have combined stochastic computational modeling and
Fabrice Gritti et al.
Journal of chromatography. A, 1384, 76-87 (2015-02-11)
Previous data have shown that could deliver a minimum reduced plate height as small as 1.7. Additionally, the reduction of the mesopore size after C18 derivatization and the subsequent restriction for sample diffusivity across the Titan-C18 particles were found responsible
Fabrice Gritti et al.
Journal of chromatography. A, 1355, 164-178 (2014-06-28)
In a previous report, it was reported that columns packed with fully porous 1.9μm Titan-C18 particles provided a minimum reduced plate height as small as 1.7 for the most retained compound (n-octanophenone) under RPLC conditions. These particles are characterized by
Fabrice Gritti et al.
Journal of chromatography. A, 1355, 179-192 (2014-07-09)
The mass transfer mechanism in four prototype columns (2.1 and 3.0×50mm, 2.1 and 3.0×100mm) packed with 1.9μm fully porous Titan-C18 particles was investigated by using two previously reported home-made protocols. The first one was used to measure the eddy dispersion
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