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| CAS No.: | 2306-33-4 |
|---|---|
| Name: | ETHYL PHTHALATE MONO |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10 O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | 1,2-Benzenedicarboxylicacid, monoethyl ester (9CI); Phthalic acid, ethyl ester (6CI,7CI); Phthalicacid, monoethyl ester (8CI); Ethyl 2-carboxybenzoate; Monoethyl phthalate |
| Density: | 1.241g/cm3 |
| Melting Point: | 46-48°C |
| Boiling Point: | 339.6°Cat760mmHg |
| Flash Point: | 135.3°C |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 63.60000 |
| LogP: | 1.56150 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate for 0.0125h; further reagents; | 93% |
| With 1-hydro-3-(3-sulfopropyl)-imidazolium 4-methyl-benzenesulfonate at 60℃; Heating; | 93% |
| at 60 - 80℃; | 91% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; dimethyl sulfoxide at 0℃; for 2h; Solvent; Reagent/catalyst; | 93% |
| With water; potassium hydroxide In dimethyl sulfoxide at 0℃; for 2h; Solvent; | 93% |
| With Tris-HCl buffer; mouse hepatic microsomal esterase ES46.5K In acetone at 37℃; pH=8.0; Enzyme kinetics; Further Variations:; Reagents; Hydrolysis; | |
| With helium; water at 19.85℃; pH=12; Kinetics; Activation energy; Thermodynamic data; Irradiation; | |
| Multi-step reaction with 2 steps 1: sodium hydroxide / water / pH 10 / UV-irradiation 2: sodium hydroxide / water / pH 10 / UV-irradiation View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 2-iodobenzoate With phenyllithium In tetrahydrofuran; diethyl ether; cyclohexane at -60℃; for 3.88889E-06h; Flow reactor; Stage #2: carbon dioxide In tetrahydrofuran; diethyl ether; cyclohexane at -60℃; Flow reactor; | 89% |
- 33672-94-5
Ethylallylphthalat
- 2306-33-4
monoethyl phthalate
| Conditions | Yield |
|---|---|
| With tetraethylammonium tosylate; tetrakis(triphenylphosphine) palladium(0) In acetonitrile Electrochemical reaction, Pb cathode, Pt anode; | 87% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; copper(II) acetate monohydrate at 100℃; for 24h; Reagent/catalyst; Sealed tube; | 81% |
- 124-38-9
carbon dioxide
- 6091-64-1
2-bromobenzoic acid ethyl ester
- 584-08-7
potassium carbonate
- 2306-33-4
monoethyl phthalate
| Conditions | Yield |
|---|---|
| With nickel(II) bromide dimethoxyethane; 2.9-dimethyl-1,10-phenanthroline; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; C60H36N2 In N,N-dimethyl-formamide at 20℃; for 24h; Molecular sieve; Irradiation; | 73% |
- 64-17-5
ethanol
- 21752-35-2
(R)-2-((1-phenylethyl)carbamoyl)benzoic acid
A
- 2306-33-4
monoethyl phthalate
B
- 3886-69-9
(R)-1-phenyl-ethyl-amine
| Conditions | Yield |
|---|---|
| at 60℃; for 12h; | A 37% B 40% |
- 85-44-9
phthalic anhydride
- 64-17-5
ethanol
A
- 2306-33-4
monoethyl phthalate
B
- 88-99-3
benzene-1,2-dicarboxylic acid
| Conditions | Yield |
|---|---|
| for 1h; Reflux; | A n/a B 32% |
| With water Rate constant; Product distribution; var. ratio of solvents; |
- 64-17-5
ethanol
- 85-01-8
phenanthrene
A
- 86-73-7
9H-fluorene
B
- 2005-10-9
6H-benzo[c]chromen-6-one
C
- 486-25-9
9-fluorenone
D
- 1430-97-3
2-methyl-9H-fluorene
E
- 2306-33-4
monoethyl phthalate
F
- 5807-65-8
diethyl biphenyl 2,2'-dicarboxylate
G
- 4425-82-5
9-methylene-fluorene
H
- 605-87-8
3-Phenanthrol
I
- 863305-32-2
diphenic acid
J
- 19926-49-9
2-phenylbenzoic acid ethyl ester
K
- 604-84-2
phenanthrene-9,10-diol
L
- 27428-70-2
2,2'-diphenic acid ethyl ester
M
- 84-11-7
9,10-phenanthrenequinone
| Conditions | Yield |
|---|---|
| With water UV-irradiation; Green chemistry; | A n/a B 23% C 19% D n/a E n/a F n/a G n/a H n/a I n/a J n/a K n/a L n/a M n/a |
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Chemistry
Molecule structure of Monoethyl phthalate (CAS NO.2306-33-4) :
IUPAC Name: 2-ethoxycarbonylbenzoic acid
Molecular Weight: 194.184 g/mol
Molecular Formula: C10H10O4
Density: 1.241 g/cm3
Boiling Point: 339.6 °C at 760 mmHg
Flash Point: 135.3 °C
Index of Refraction: 1.547
Molar Refractivity: 49.58 cm3
Molar Volume: 156.3 cm3
Polarizability: 19.65*10-24 cm3
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 61.54 kJ/mol
Vapour Pressure: 3.53E-05 mmHg at 25 °C
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 194.057909
MonoIsotopic Mass: 194.057909
Topological Polar Surface Area: 63.6
Heavy Atom Count: 14
Complexity: 224
Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)O
InChI: InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKey of Monoethyl phthalate (CAS NO.2306-33-4) : YWWHKOHZGJFMIE-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:700 mg/kg | CHDDAT Comptes Rendus Hebdomadaires des Seances de lAcademie des Sciences, Serie D. 273 (1971),2165. |
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Monoethyl phthalate (CAS NO.2306-33-4) is also called 1,2-Benzenecarboxylic acid, monoethyl ester ; 4-09-00-03171 (Beilstein Handbook Reference) ; AI3-02249 ; BRN 1956404 ; 1,2-Benzenedicarboxylic acid, monoethyl ester ; Phthalic acid, monoethyl ester .