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1,3-dihydroxy-2-propanon 1,3-Dihydroxy-2-propanone 1,3-Dihydroxydimethyl ketone 1,3-dihydroxypropan-2-one 1,3-Dihydroxypropanone 2-Propanone, 1,3-dihydroxy 2-Propanone, 1,3-dihydroxy- 4-01-00-04119 4-01-00-04119 (Beilstein Handbook Reference) a,a'-Dihydroxyacetone acetone, dihydroxy- Aliphatic ketone Bis(hydroxymethyl) Ketone Chromelin Dihydroxy acetone dihydroxy-acetone Dihyxal EINECS 202-494-5 glycerone Ketochromin Magic Tan Man-Tan MFCD00004670 PROPANE-1,3-DIOL-2-ONE Protosol Quick Tan Tan Tone Tanorama
The IUPAC name of?Dihydroxyacetone is 1,3-dihydroxypropan-2-one.?With the?CAS registry number 96-26-4, it is also named as?2-Propanone, 1,3-dihydroxy;?Chromelin.?The product's categories are?ketones and?organic materials. In addition, it is white powder which is stable, combustible and?hygroscopic.?Thic chemical has a sweet cooling taste and a characteristic odor. But, people should avoid contact with skin and eyes.?
The other characteristics of this product can be summarized as:?(1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.96; (8)ACD/KOC (pH 7.4): 8.96; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 19.04 cm3; (13)Molar Volume: 70.1 cm3; (14)Polarizability: 7.55×10-24 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Enthalpy of Vaporization: 52.34 kJ/mol; (17)Vapour Pressure: 0.0358 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 3; (20)Exact Mass: 90.031694; (21)MonoIsotopic Mass: 90.031694; (22)Topological Polar Surface Area: 57.5; (23)Heavy Atom Count: 6.
Preparation of?Dihydroxyacetone: It can be obtained by?formaldehyde with?calcium carbonate.
Uses of?Dihydroxyacetone:?It is an ingredient of suntan lotion that creates an artificial tan. It is also valuable as a chemical intermediate and as a catalyst in butadiene-styrene olymerization.?This chemical is also can be used in organic synthesis. For example: It can react with?(chloromethoxy-methyl)-benzene to get 1,3-bis[(benzyloxy)methoxy]-2-propanone. This reaction needs reagent?diisopropylethylamine and solvent?CH2Cl2?at?ambient temperature. The reaction time is?24 hours. The yield is 79.3%.
People can use the following data to convert to the molecule structure.
1.?SMILES: O=C(CO)CO;
2.?InChI: InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2.
The following are the toxicity data which has been tested.?
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD | intraperitoneal | > 8gm/kg (8000mg/kg) | ? | United States Patent Document. Vol. #4049795, |
| rat | LD50 | intraperitoneal | 8750mg/kg (8750mg/kg) | ? | United States Patent Document. Vol. #4049795, |
| rat | LDLo | oral | 80gm/kg (80000mg/kg) | ? | United States Patent Document. Vol. #4049795, |
The IUPAC name of?Dihydroxyacetone is 1,3-dihydroxypropan-2-one.?With the?CAS registry number 96-26-4, it is also named as?2-Propanone, 1,3-dihydroxy;?Chromelin.?The product's categories are?ketones and?organic materials. In addition, it is white powder which is stable, combustible and?hygroscopic.?Thic chemical has a sweet cooling taste and a characteristic odor. But, people should avoid contact with skin and eyes.?
The other characteristics of this product can be summarized as:?(1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.96; (8)ACD/KOC (pH 7.4): 8.96; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 19.04 cm3; (13)Molar Volume: 70.1 cm3; (14)Polarizability: 7.55×10-24 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Enthalpy of Vaporization: 52.34 kJ/mol; (17)Vapour Pressure: 0.0358 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 3; (20)Exact Mass: 90.031694; (21)MonoIsotopic Mass: 90.031694; (22)Topological Polar Surface Area: 57.5; (23)Heavy Atom Count: 6.
Preparation of?Dihydroxyacetone: It can be obtained by?formaldehyde with?calcium carbonate.
Uses of?Dihydroxyacetone:?It is an ingredient of suntan lotion that creates an artificial tan. It is also valuable as a chemical intermediate and as a catalyst in butadiene-styrene olymerization.?This chemical is also can be used in organic synthesis. For example: It can react with?(chloromethoxy-methyl)-benzene to get 1,3-bis[(benzyloxy)methoxy]-2-propanone. This reaction needs reagent?diisopropylethylamine and solvent?CH2Cl2?at?ambient temperature. The reaction time is?24 hours. The yield is 79.3%.
People can use the following data to convert to the molecule structure.
1.?SMILES: O=C(CO)CO;
2.?InChI: InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2.
The following are the toxicity data which has been tested.?
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD | intraperitoneal | > 8gm/kg (8000mg/kg) | ? | United States Patent Document. Vol. #4049795, |
| rat | LD50 | intraperitoneal | 8750mg/kg (8750mg/kg) | ? | United States Patent Document. Vol. #4049795, |
| rat | LDLo | oral | 80gm/kg (80000mg/kg) | ? | United States Patent Document. Vol. #4049795, |
Not classified.
| Pictogram(s) | No symbol. |
|---|---|
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
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