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600-14-6

Basic Information
CAS No.: 600-14-6
Name: 2,3-Pentanedione
Article Data: 85
Molecular Structure:
Molecular Structure of 600-14-6 (2,3-Pentanedione)
Formula: C5H8O2
Molecular Weight: 100.117
Synonyms: Acetylpropionyl;NSC 7613;BRN 1699638;CCRIS 2946;Pentane-2,3-dione;
EINECS: 209-984-8
Density: 0.958 g/cm3
Melting Point: -52 °C
Boiling Point: 108 °C at 760 mmHg
Flash Point: 19.7 °C
Solubility: Water: 60 g/L (15 °C)
Appearance: Yellow-green oily liquid
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36/37/38
Safety: 16-26-36-37/39
Transport Information: UN 1224 3/PG 2
PSA: 34.14000
LogP: 0.55450
Synthetic route

CpRe(CO)2(COCH3)(CH3)

4437-51-8

3,4-hexanedione

A

tricarbonylcyclopentadienylrhenium

B

600-14-6

2,3-Pentanedione

C

431-03-8

dimethylglyoxal

D

67-64-1

acetone

Conditions
ConditionsYield
With CO In benzene-d6 Irradiation (UV/VIS); 355-385 nm;;A 100%
B 68%
C 34%
D 10%
849585-22-4

LACTIC ACID

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
With aluminum oxide; potassium fluoride at 200℃; Reagent/catalyst;81.5%
trockne Destillation des Zinksalzes;
With caesium supported on porous carrier at 260℃; Catalytic behavior; Temperature; Sealed tube;
129650-81-3

1-(2-ethyl-1,3-dithian-2-yl)ethanone

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
In water; acetonitrile electrolysis; Pt-electrode;80%
17257-79-3

3,4-epoxy-2-pentanone

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
With titanium(IV) dichlorodiisopropylate In diethyl ether for 3h; Ambient temperature;75%
849585-22-4

LACTIC ACID

A

600-14-6

2,3-Pentanedione

B

75-07-0

acetaldehyde

C

802294-64-0

propionic acid

D

79-10-7

acrylic acid

Conditions
ConditionsYield
With 12% Na2HPO4-modified NaY-20.1 (H2O/SiO2 molar ratio) In water at 340℃; for 2h; Catalytic behavior; Reagent/catalyst; Temperature;A 5.2%
B 5.1%
C 1%
D 74.3%
With NaY-20.1 (H2O/SiO2 molar ratio) In water at 340℃; for 2h; Catalytic behavior; Reagent/catalyst; Temperature;A 2.5%
B 13.6%
C 1.1%
D 42%
With calcium phosphate hydroxyapatite; ammonia; sodium hydroxide In water at 349.84℃; for 6h; Inert atmosphere;
303186-51-8

3-chloro-3-(ethylthio)-2-pentanone

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
With water; mercury dichloride In dichloromethane at 20℃; for 20h; Hydrolysis;73%
Multi-step reaction with 2 steps
1: 91 percent / sodium carbonate / 15 h / 20 °C
2: 57 percent / H2O; HgCl2 / CH2Cl2 / 3 h / Heating
View Scheme
303186-52-9

2-chloro-2-(ethylthio)-3-pentanone

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
With water; mercury dichloride In dichloromethane at 20℃; for 20h; Hydrolysis;73%
Multi-step reaction with 2 steps
1: 97 percent / sodium carbonate / 15 h / 20 °C
2: 60 percent / H2O; HgCl2 / CH2Cl2 / 3 h / Heating
View Scheme
849585-22-4

LACTIC ACID

A

600-14-6

2,3-Pentanedione

B

75-07-0

acetaldehyde

C

64-19-7

acetic acid

D

802294-64-0

propionic acid

E

79-10-7

acrylic acid

Conditions
ConditionsYield
Stage #1: LACTIC ACID With Cs-doped hydroxyapatite In water at 300℃; under 760.051 Torr; Inert atmosphere;
Stage #2: at 400℃; Reagent/catalyst; Calcination;
A 72.3%
B n/a
C n/a
D n/a
E n/a
With Mg0388Al2408O4 at 380℃; under 760.051 Torr; pH=7 - 8; Reagent/catalyst; Concentration; Gas phase;
With KNO3/TiPO (5:1) In water at 270℃; Catalytic behavior; Kinetics; Concentration; Reagent/catalyst; Temperature; Flow reactor;
303186-57-4

2-(ethylthio)-2-methoxy-3-pentanone

600-14-6

2,3-Pentanedione

Conditions
ConditionsYield
With water; mercury dichloride In dichloromethane for 3h; Hydrolysis; Heating;60%
10326-41-7

D-Lactic acid

A

600-14-6

2,3-Pentanedione

B

75-07-0

acetaldehyde

C

79-10-7

acrylic acid

Conditions
ConditionsYield
With Cs and Na exchanged beta zeolite at 360℃; for 2h; Reagent/catalyst;A n/a
B n/a
C 60%
With Cs and Na exchanged beta zeolite at 360℃; for 2h; Reagent/catalyst;A n/a
B n/a
C 46%
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    Product Name: 2,3-Pentanedione Synonyms: 2,3-Pentadione;2,3-pentandione;3-Pentanedione;Natural 2,3-Pentanedione;Acethylpropionyl;CH3C(O)C(O)C2H5;2,3-PENTANEDITHIOL;2 3-PENTANEDIONE 96+% FCC CAS: 600-14-6 MF: C5H8O2 MW: 100.12 EINECS:

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    2,3-Pentanedione CAS 600-14-6

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,3-Pentanedione with CAS registry number of 600-14-6 is also known as Acetyl propionyl. The IUPAC name is Pentane-2,3-dione. It belongs to product categories of Pharmaceutical Raw Materials; Organics; Ketone Flavor. Its EINECS registry number is 209-984-8. In addition, the formula is C5H8O2 and the molecular weight is 100.12. This chemical is a yellow-green oily liquid and should be sealed in cool and dry place.

Physical properties about 2,3-Pentanedione are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -0.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.74; (7)ACD/KOC (pH 7.4): 8.74; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.395; (11)Molar Refractivity: 25.27 cm3; (12)Molar Volume: 105.3 cm3; (13)Surface Tension: 27.5 dyne/cm; (14)Density: 0.95 g/cm3; (15)Flash Point: 19.7 °C; (16)Enthalpy of Vaporization: 34.68 kJ/mol; (17)Boiling Point: 108 °C at 760 mmHg; (18)Vapour Pressure: 26.4 mmHg at 25 °C.

Preparation of 2,3-Pentanedione: it is prepared by oxidation of methyl acetone. The reaction needs reagents sodium nitrite, hydrochloric acid in the presence of hydroxylamine hydrochloride and nitrogen.

Uses of 2,3-Pentanedione: it is used to produce 2,3-bis(trimethylsilyloxy)-1,3-pentadiene by reaction with chloro-trimethyl-silane. The reaction occurs with reagents triethylamine, LiBr and solvent tetrahydrofuran. The yield is about 93%.

2,3-Pentanedione is used to produce 2,3-bis(trimethylsilyloxy)-1,3-pentadiene by reaction with chloro-trimethyl-silane.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is highly flammable. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCC(=O)C(=O)C
2. InChI: InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
3. InChIKey: TZMFJUDUGYTVRY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2500mg/kg (2500mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 699, 1979.
rat LD50 oral 3gm/kg (3000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 699, 1979.