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Name |
2-Methylpentanedioic acid dimethyl ester |
EINECS | 251-552-6 |
CAS No. | 14035-94-0 | Density | 1.037 g/cm3 |
PSA | 52.60000 | LogP | 0.74870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14O4 | Boiling Point | 204.4 °C at 760 mmHg |
Molecular Weight | 174.197 | Flash Point | 90.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dimethyl 2-methylpentanedioate;Pentanedioic acid, 2-methyl-, dimethyl ester;Dimethyl 2-Methylglutarate;Rhodiasolv IRIS; |
Article Data | 21 |
Conditions | Yield |
---|---|
With sulfuric acid In water at 60℃; for 3h; Temperature; Inert atmosphere; | 86.1% |
2,6-dimethyl-1-cyclohexen-1-yl acetate
A
dimethyl 2-methylglutarate
B
methyl 2-methyl-5-oxopentanoate
C
6-oxo-2-methyl-heptanoic acid methyl ester
Conditions | Yield |
---|---|
With lithium perchlorate In methanol; acetic acid at 2 - 3℃; electrolysis; Yield given; | A n/a B n/a C 72% |
methanol
carbon monoxide
buta-1,3-diene
A
hexanedioic acid dimethyl ester
B
dimethyl 2-methylglutarate
C
dimethyl 2-propylmaleate
Conditions | Yield |
---|---|
2-6-dimethoxybenzoic acid; palladium diacetate In methoxybenzene at 170℃; under 30003 Torr; for 10h; Product distribution / selectivity; | A 59% B 19% C 13% |
methanol
4-Diethylcarbamoyl-pentanoic acid methyl ester
dimethyl 2-methylglutarate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid |
propanoic acid methyl ester
acrylic acid methyl ester
dimethyl 2-methylglutarate
Conditions | Yield |
---|---|
With sodium methylate |
vinyl acetate
propanoic acid methyl ester
A
dimethyl 2-methylglutarate
B
hexane-1,3,5-tricarboxylic acid trimethyl ester
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 135 - 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given; |
vinyl acetate
propanoic acid methyl ester
A
dimethyl 2-methylglutarate
B
hexane-1,3,5-tricarboxylic acid trimethyl ester
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 135 - 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given; |
vinyl acetate
propanoic acid methyl ester
A
dimethyl 2-methylglutarate
B
hexane-1,3,5-tricarboxylic acid trimethyl ester
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 135 - 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given; |
2,6-dimethyl-1-cyclohexen-1-yl acetate
A
dimethyl 2-methylglutarate
B
methyl 2-methyl-5-oxopentanoate
C
6-oxo-2-methyl-heptanoic acid methyl ester
D
2,6-dimethyl-2-cyclohexen-1-one
E
2,6-dimethyl-2-methoxycyclohexanone
Conditions | Yield |
---|---|
With lithium perchlorate In methanol; acetic acid Product distribution; Mechanism; var. electrolysis conditions, other cycloalkanone enol acetates, var. 2-oxocycloalkan-1-ols; |
carbon monoxide
acrylic acid methyl ester
A
1,3-bis(methoxycarbonyl)-1-butene
B
propanoic acid methyl ester
C
4-oxobutanoic acid methyl ester
D
dimethyl 2-methylglutarate
E
4-oxo-heptanedioic acid dimethyl ester
Conditions | Yield |
---|---|
With water; Co(CO)8-diphos at 135℃; under 76000 Torr; for 10h; Product distribution; Mechanism; var. solvents; var. time, pressure and temperature; also acrylonitrile; | A 1.3 mmol B 0.15 mmol C 0.20 mmol D 0.20 mmol E 32.7 mmol |
The Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester, with the CAS registry number 14035-94-0, is also known as Dimethyl 2-Methylglutarate. Its EINECS number is 251-552-6. This chemical's molecular formula is C8H14O4 and molecular weight is 174.19. What's more, its systematic name is ethyl 4-chloro-3-oxopentanoate. Its classification codes are: (1)TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; (2)TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.2; (6)ACD/BCF (pH 7.4): 3.2; (7)ACD/KOC (pH 5.5): 80.02; (8)ACD/KOC (pH 7.4): 80.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 42.62 cm3; (15)Molar Volume: 167.9 cm3; (16)Polarizability: 16.89×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 44.06 kJ/mol; (21)Boiling Point: 204.4 °C at 760 mmHg; (22)Vapour Pressure: 0.264 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCC(C(=O)OC)C
(2)Std. InChI: InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3
(3)Std. InChIKey: ZWKKRUNHAVNSFW-UHFFFAOYSA-N