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Basic Information
| CAS No.: | 765-69-5 |
|---|---|
| Name: | 2-Methyl-1,3-cyclopentanedione |
| Article Data: | 49 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8O2 |
| Molecular Weight: | 112.128 |
| Synonyms: | 2-Methyl-1,3-cyclopentadione;NSC 54458; |
| EINECS: | 212-153-2 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 212-215 °C(lit.) |
| Boiling Point: | 218 °C at 760 mmHg |
| Flash Point: | 78.5 °C |
| Appearance: | light beige to tan crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 34.14000 |
| LogP: | 0.55450 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| In methanol Irradiation (UV/VIS); anaerobic irradiation 1h with visible light at 20°C; analyzing products by GLC; | A 69% B 19% |
| In water Irradiation (UV/VIS); anaerobic irradiation 1h with visible light in single-compartment vesicle of N,N-dihexadecyl-Nα-(6-(trimethylammonio)hexanoyl)-L-alaninamide bromide at 20°C; phosphate-borate buffer; analyzing products by GLC; | A 19% B 67% |
| In benzene Irradiation (UV/VIS); anaerobic irradiation 1h with visible light at 20°C; analyzing products by GLC; | A 57% B 28% |
Conditions
| Conditions | Yield |
|---|---|
| With acetic acid; copper(l) chloride at 120℃; | 68% |
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: succinic acid With aluminum (III) chloride; nitromethane at 20℃; for 1h; Inert atmosphere; Stage #2: propionyl chloride at 80℃; for 3h; Inert atmosphere; | 63% |
| With aluminum oxide 1.) nitromethane, 2.) 80 deg C, 3 h; Multistep reaction; | |
| Stage #1: succinic acid With aluminum (III) chloride In nitromethane for 3.5h; Reflux; Inert atmosphere; Stage #2: propionyl chloride In nitromethane for 2.5h; Reflux; Inert atmosphere; |
Conditions
| Conditions | Yield |
|---|---|
| With semicarbazide hydrochloride anschliessendes Erhitzen mit KOH in Aethylenglykol; |
- 4505-54-8
3-methylcyclopentane-1,2,4-trione
A
- 765-69-5
2-Methylcyclopentane-1,3-dione
B
- 4800-04-8
4-hydroxy-2-methyl-1,3-cyclopentanedione
Conditions
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; | |
| With ethanol; platinum |
Conditions
| Conditions | Yield |
|---|---|
| With aluminium trichloride; nitromethane 1.) heating, 2.) 80 deg C, 3 h; Yield given. Multistep reaction; |
- 125113-32-8
2-(1-ethoxy-ethyl)-2-trimethylsilanyloxy-cyclobutanone
- 765-69-5
2-Methylcyclopentane-1,3-dione
Conditions
| Conditions | Yield |
|---|---|
| With Nafion-H; trifluoroacetic acid at 85℃; for 10h; Yield given; |
Conditions
| Conditions | Yield |
|---|---|
| With 9,10-dihydroanthracene In 1,3,5-trimethyl-benzene at 221℃; Kinetics; Rate constant; different temperatures; ΔG(excit.)300, ΔH(excit.), ΔS(excit.); | A n/a B 75 % Chromat. |
Conditions
| Conditions | Yield |
|---|---|
| With 9,10-dihydroanthracene In 1,3,5-trimethyl-benzene at 221℃; Kinetics; Rate constant; different temperatures; ΔG(excit.)300, ΔH(excit.), ΔS(excit.); | A n/a B 82 % Chromat. |
Conditions
| Conditions | Yield |
|---|---|
| N+C5Ala2C16 vesicle at 20℃; Irradiation; in aqueous phosphate-borate buffer; | A 19 % Chromat. B 67 % Chromat. |
| In methanol at 20℃; Irradiation; | A 69 % Chromat. B 19 % Chromat. |
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2-Methyl-1,3-cyclopentanedione
Chemistry
The Molecular formula of 2-Methyl-1,3-cyclopentanedione(765-69-5):C6H8O2
The Molecular Weight of 2-Methyl-1,3-cyclopentanedione(765-69-5):112.13
The Molecular Structure of 2-Methyl-1,3-cyclopentanedione(765-69-5) is:
Density:1.102 g/cm3
Melting point:212-215 °C(lit.)
Boiling point:218 °C at 760 mmHg
Flash point:78.5 °C
Index of Refraction:1.463
Molar Refractivity:28.02 cm3
Molar Volume:101.7 cm3
Polarizability:11.11 10-24m3
Surface Tension:35.9 dyne/cm
Enthalpy of Vaporization:45.44 kJ/mol
Vapour Pressure:0.129 mmHg at 25°C
Appearance:light beige - tan and crystalline powder
IUPAC Name:2-methylcyclopentane-1,3-dione
Synonyms:2-Methyl-1,3-cyclopentadione;2-METHYLCYCLOPENTAN-1,3-DIONE;2-METHYL-1,3-CYCLOPENTANEDIONE;METHYLCYCLE-D;2-Methylcyclopentane-1,3-dione,98%;2-METHYL-1,3-CYCLOPENTANEDIONE(METHYLCYCLO-D);1,3-Cyclopentanedione, 2-methyl-
The Molecular Weight of 2-Methyl-1,3-cyclopentanedione(765-69-5):112.13
The Molecular Structure of 2-Methyl-1,3-cyclopentanedione(765-69-5) is:
Density:1.102 g/cm3
Melting point:212-215 °C(lit.)
Boiling point:218 °C at 760 mmHg
Flash point:78.5 °C
Index of Refraction:1.463
Molar Refractivity:28.02 cm3
Molar Volume:101.7 cm3
Polarizability:11.11 10-24m3
Surface Tension:35.9 dyne/cm
Enthalpy of Vaporization:45.44 kJ/mol
Vapour Pressure:0.129 mmHg at 25°C
Appearance:light beige - tan and crystalline powder
IUPAC Name:2-methylcyclopentane-1,3-dione
Synonyms:2-Methyl-1,3-cyclopentadione;2-METHYLCYCLOPENTAN-1,3-DIONE;2-METHYL-1,3-CYCLOPENTANEDIONE;METHYLCYCLE-D;2-Methylcyclopentane-1,3-dione,98%;2-METHYL-1,3-CYCLOPENTANEDIONE(METHYLCYCLO-D);1,3-Cyclopentanedione, 2-methyl-
Uses
Used as a pharmaceutical intermediate
Toxicity Data With Reference
RTECS#: CAS# 765-69-5: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: 2-Methyl-1,3-cyclopentanedione - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
LD50/LC50: RTECS: Not available.
Carcinogenicity: 2-Methyl-1,3-cyclopentanedione - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Safety Profile
Hazard Codes
Xi:Irritant
Risk Statements
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany:3
Hazard Note:rritant
HS Code:9142900
Specification
Chemical Stability: Stable under normal temperatures and pressures.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Will not occur.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.