- 1-PHENYL-1-(3,4-XYLYL)-2-PROPYNYL N-CYCLOHEXYLCARBAMATE
- 1-Phenyl-1,2,3,4-tetrahydroisoquinoline
- 1-phenyl-1,2,3,4-tetrahydroisoquinoline
- 1-Phenyl-1,2-ethanediol
- 1-Phenyl-1,2-ethanediol
- 1-PHENYL-1,2-PROPANEDIONE
- 1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime
- 1-Phenyl-1,2-Propanedione-2-oxime
- 1-Phenyl-1,3,3-trimethylindan
- 1-Phenyl-1,3-butanedione
- 939-16-22(1H)-Quinolinone,3-bromo-
- 93917-90-92-Propen-1-aminium,N,N-dimethyl-N-[3-[(1-oxo-9-octadecenyl)amino]propyl]-, chloride, (Z)- (9CI)
- 93917-97-64,4-Bis((4-morpholino-6-((4-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2-disulphonic acid, sodium salt, compound with2,2,2-nitrilotriethanol
- 93917-98-7Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-,sodium salt (1:?)
- 93918-09-3Butanedioic acid,dodecenyl-, 1-[2-(diethylamino)ethyl] ester, lithium salt (9CI)
- 93918-16-2Neononanoic acid,manganese(2+) salt (9CI)
- 93918-17-3Neoundecanoic acid, cobalt(2+) salt (9CI)
- 93918-42-4Methanethioamide, 1,1'-trithiobis[N,N-dibutyl-(9CI)
- 93918-43-5Methanethioamide, 1,1'-tetrathiobis[N,N-dibutyl-(9CI)
- 93918-55-99,12,15-Octadecatrienamide,N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis- (9CI)
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
1-Phenyl-1,3-butanedione |
EINECS | 202-286-4 |
| CAS No. | 93-91-4 | Density | 1.073 g/cm3 |
| PSA | 34.14000 | LogP | 1.84840 |
| Solubility | insoluble in water | Melting Point |
54-56 °C(lit.) |
| Formula | C10H10O2 | Boiling Point | 262.2 °C at 760 mmHg |
| Molecular Weight | 162.188 | Flash Point | 96.9 °C |
| Transport Information | N/A | Appearance | yellowish crystalline flakes or cryst. powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Benzoyl-2-propanone;1-Methyl-3-phenyl-1,3-propanedione;2-Acetylacetophenone;4-Phenyl-2,4-butanedione;Acetylbenzoylmethane;Benzoylacetone;NSC 100655;NSC 4015;NSC 405722;NSC 405723;NSC 83580;NSC 83581;NSC 88942;NSC 97232;NSC 97233;a-Acetylacetophenone; |
Article Data | 202 |
1-Phenyl-1,3-butanedione Synthetic route
- 69626-39-7
1-phenylbuta-2,3-dien-1-one
- 93-91-4
1-phenylbutan-1,3-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetone for 1h; Ambient temperature; | 99% |
- 5381-93-1, 86734-67-0, 86734-69-2, 127707-68-0
1-hydroxy-1-phenyl-3-butanone
- 93-91-4
1-phenylbutan-1,3-dione
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 77℃; | 99% |
| With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -60℃; for 0.333333h; | 74% |
| With manganese(IV) oxide In dichloromethane for 24h; Ambient temperature; | 50% |
| With oxygen; potassium carbonate In water at 80℃; for 60h; Green chemistry; | > 98 %Spectr. |
- 65469-88-7
1-phenylbutane-1,3-diol
- 93-91-4
1-phenylbutan-1,3-dione
| Conditions | Yield |
|---|---|
| With Me-IBX In acetone at 20℃; for 12h; | 98% |
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione at 70℃; for 4h; | 89% |
| With pyridine chromium peroxide In dichloromethane for 4h; Ambient temperature; | 15% |
| With pyridine chromium peroxide In dichloromethane for 4h; Product distribution; Ambient temperature; effect of various chromium(VI) based oxidants; | 15% |
- 13505-39-0
3-hydroxy-1-phenyl-butan-1-one
- 93-91-4
1-phenylbutan-1,3-dione
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 77℃; | 98% |
- 15021-43-9
dimethylsulfonium 1-benzoyl-2-oxopropylide
- 93-91-4
1-phenylbutan-1,3-dione
| Conditions | Yield |
|---|---|
| With acetic acid; zinc In 1,4-dioxane for 12h; Ambient temperature; | 97% |
| Conditions | Yield |
|---|---|
| L-proline at 20℃; for 30h; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: acetophenone With lithium hexamethyldisilazane In tetrahydrofuran for 0.25h; Stage #2: Acetyl cyanide In tetrahydrofuran | 92% |
| Conditions | Yield |
|---|---|
| With (triphenylphosphine)gold(I) chloride; water; silver trifluoromethanesulfonate In methanol at 25℃; for 12h; | 90% |
| With piperidine Behandlung des Reaktionsproduktes mit krystallwasserhaltiger Oxalsaeure in Aether und verd. Alkohol; | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With air; 4-aminoperbenzoic acid In dichloromethane at 20℃; for 12h; | 90% |
| Conditions | Yield |
|---|---|
| With samarium diiodide In acetonitrile for 1h; Ambient temperature; | 89% |
| With samarium (III) iodide In acetonitrile for 1h; Ambient temperature; | 80% |
1-Phenyl-1,3-butanedione Consensus Reports
Reported in EPA TSCA Inventory.
1-Phenyl-1,3-butanedione Specification
The IUPAC name of Benzoylacetone is 1-phenylbutane-1,3-dione. With the CAS registry number 93-91-4, it is also named as 2-Acetylacetophenone. The product's categories are Environmentally-friendly Oxidation; Ligands (Environmentally-friendly Oxidation); Synthetic Organic Chemistry. Besides, it is yellowish crystalline flakes or cryst. powder, which should be stored in sealed place at RT. This chemical is insoluble in water. In addition, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.
The other characteristics of this product can be summarized as: (1)EINECS: 202-286-4; (2)ACD/LogP: 2.52; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.52; (5)ACD/LogD (pH 7.4): 2.5; (6)ACD/BCF (pH 5.5): 48.33; (7)ACD/BCF (pH 7.4): 46.06; (8)ACD/KOC (pH 5.5): 558.57; (9)ACD/KOC (pH 7.4): 532.35; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 3; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 45.57 cm3; (15)Molar Volume: 151 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.073 g/cm3; (18)Flash Point: 96.9 °C; (19)Melting point: 54-58 °C; (20)Enthalpy of Vaporization: 50 kJ/mol; (21)Boiling Point: 262.2 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.
Preparation and Uses of Benzoylacetone: frist, you can use Benzoyl chloride to react with Ethyl acetoacetate in the solvent of Ethyl ether. And you will get Ethyl benzoylacetoacetate. Then please add water to reflux for 5 hours. At last, you would get the product by steam distillation. Furthermore, this chemical is excellent chelating extractants which is used as analytical reagent. It is also used for organic synthesis.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1ccccc1)CC(=O)C
(2)InChI:InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(3)InChIKey:CVBUKMMMRLOKQR-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(5)Std. InChIKey:CVBUKMMMRLOKQR-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953. | |
| rat | LDLo | unreported | 600mg/kg (600mg/kg) | Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965. |
What can I do for you?
Get Best Price
