1-Phenyl-1,2-propanedione
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1-Phenyl-1,2-propanedione
structure -
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CAS No:
579-07-7
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Formula:
C9H8O2
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Chemical Name:
1-Phenyl-1,2-propanedione
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Synonyms:
1,2-Propanedione,1-phenyl-;1-Phenyl-1,2-propanedione;Pyruvophenone;Acetylbenzoyl;Benzoyl methyl ketone;Methylphenylglyoxal;3-Phenyl-2,3-propanedione;Benzoylacetyl;2-Oxopropiophenone;NSC 7643;1-Phenyl-2-oxopropan-1-one;3-Oxo-3-phenylpropan-2-one;30581-69-2
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CAS No:
Description
1-Phenyl-1,2-propanedione has a pungent, plastic odor. clear yellow liquid
Liquid|yellow oily liquid with a pungent plastic odour
1-phenyl-1,2-propanedione is an alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. It has a role as a plant metabolite. It is an alpha-diketone and an aromatic ketone. It derives from a hydride of a propylbenzene.
1-Phenyl-1,2-propanedione Basic Attributes
148.161
148.16
209-435-2
ZB5XA3GD0I
7643
DTXSID3060372
2914399090
Characteristics
34.1
1.7
Liquid
1.1083 g/cm3 @ Temp: 9.6 °C
<20 °C
222 °C
84.4±0.0 °C
1.520
2.6 mg/mL at 20 °C
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
3
R36/37/38
S26-S36
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H302-H315-H319-H335
|Danger|H302 (98.13%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 1441 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Phenyl-1,2-propanedione Use and Manufacturing
1,2-Propanedione, 1-phenyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:148.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:148.052429494
Monoisotopic Mass:148.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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