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W322601

Sigma-Aldrich

1-Phenyl-1,2-propanedione

98%, FG

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Synonym(s):
Acetyl benzoyl
Linear Formula:
C6H5COCOCH3
CAS Number:
579-07-7
Molecular Weight:
148.16
FEMA Number:
3226
EC Number:
209-435-2
Council of Europe no.:
2275
MDL number:
MFCD00008755
PubChem Substance ID:
24901567
Flavis number:
7.079
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

Assay

98%

refractive index

n20/D 1.532 (lit.)

bp

103-105 °C/14 mmHg (lit.)

density

1.101 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

Organoleptic

honey; buttery; plastic

SMILES string

CC(=O)C(=O)c1ccccc1

InChI

1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3

InChI key

BVQVLAIMHVDZEL-UHFFFAOYSA-N

Gene Information

human ... ACHE(43) , BCHE(590) , CES1(1066)

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General description

1-Phenyl-1,2-propanedione is a volatile flavor compound found in khat leaves and cambará honey.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 - H315 - H319 - H335

Hazard Classifications

Acute Tox. 4 Oral - 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)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Investigation of the aroma compounds from headspace and aqueous solution from the cambara (Gochnatia Velutina) honey
Moreira RFA & De Maria CAB.
Flavour and Fragrance Journal, 20(1), 13-17 (2005)
Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis).
Krizevski R, et al.
Planta Medica, 78(08), 838-842 (2012)
William Cunha Brandt et al.
Journal of dentistry, 39(6), 438-447 (2011-04-23)
The aim of this study was to evaluate the degree of conversion (DC), rate of polymerization (R(p)(max)), Knoop hardness (KHN) and bond strength between tooth/restoration of composite resins containing different photo-initiators photo-activated by different light-curing units (LCUs). A mixture of
B Toukoniitty et al.
Ultrasonics sonochemistry, 13(1), 68-75 (2005-10-15)
The enantioselective hydrogenation of 1-phenyl-1,2-propanedione was carried out over Pt/Al2O3, Pt/SiO2, Pt/SF (silica fiber), Pt/C catalysts modified with cinchonidine under ultrasonic irradiation. The initial rate, regioselectivity and enantioselectivity were investigated for different catalyst pretreatments, solvents and ultrasonic powers. The ultrasound
Hiroyuki Arikawa et al.
Dental materials journal, 28(4), 454-460 (2009-09-02)
The purpose of this study was to investigate effects of various visible light photoinitiators on the polymerization efficiency and color of the light-activated resins. Four photoinitiators, including camphorquinone, phenylpropanedione, monoacrylphosphine oxide (TPO), and bisacrylphosphine oxide (Ir819), were used. Each photoinitiator
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