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| CAS No.: | 131-11-3 | |
|---|---|---|
| Name: | Dimethyl phthalate | |
| Article Data: | 173 | |
| Molecular Structure: | ||
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| Formula: | C10H10O4 | |
| Molecular Weight: | 194.187 | |
| Synonyms: | Mipax;Avolin;Fermine;Dimethyl benzene-o-dicarboxylate;DMP;Unimoll DM;Dimethyl Phthalate (P001);o-dimethyl phthalate;Di methyl phthalate;Phthalsaeuredimethylester;1,2-benzenedicarboxylic acid, dimethyl ester;Solvanom;Repeat motifs (protein)Repeftal;Phthalic acid methyl ester;Solvarone;dimethyl benzene-1,2-dicarboxylate; | |
| EINECS: | 205-011-6 | |
| Density: | 1.175 g/cm3 | |
| Melting Point: | 2 °C(lit.) | |
| Boiling Point: | 282.7 °C at 760 mmHg | |
| Flash Point: | 146.7 °C | |
| Solubility: | soluble in benzene or acetone | |
| Appearance: | clear oily liquid | |
| Hazard Symbols: |
 F, T
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| Risk Codes: | 20/21/22-36/37/38-39/23/24/25 | |
| Safety: | 7-16-24/25-45-36/37 | |
| Transport Information: | UN 3082 | |
| PSA: | 52.60000 | |
| LogP: | 1.25980 | |
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(2,3-dicarbomethoxy-7-(carbethoxy)-7-azanorbornadiene)tricarbonyliron
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| In acetonitrile heating (60°C); | 100% |
| Conditions | Yield |
|---|---|
| With boron trifluoride at 95℃; for 1h; Product distribution; other reaction time: 15, 20, 30 min; | 99.9% |
| With boron trifluoride at 95℃; for 1h; | 99.9% |
| With sulfuric acid for 24h; Reflux; | 96% |
- 123-73-9
trans-Crotonaldehyde
- 762-42-5
dimethyl acetylenedicarboxylate
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| With acetamide; toluene-4-sulfonic acid for 0.166667h; Beller reaction; microwave irradiation; | 98% |
- 64-19-7
acetic acid
- 35679-81-3
(1,10-phenanthroline)-palladium(II) acetate
B
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| at 100℃; for 0.5h; | A 98% B 78% |
- 88-99-3
benzene-1,2-dicarboxylic acid
- 616-38-6
carbonic acid dimethyl ester
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid at 80 - 85℃; for 6h; Neat (no solvent); | 97.6% |
| With 5 wt percent zeolite NaY-Bf at 180℃; for 20h; Autoclave; Green chemistry; | 95% |
| With dimanganese decacarbonyl at 180℃; for 1h; Sealed tube; | 93% |
| Conditions | Yield |
|---|---|
| With sulfonated graphene In neat (no solvent) at 90℃; for 3h; | 96% |
| With thionyl chloride for 3h; Ambient temperature; | 81% |
| With diacidic ionic liquid supported on magnetic-silica nanoparticles In neat (no solvent) at 65℃; for 10h; Dean-Stark; | 80% |
- 67-56-1
methanol
- 615-42-9
1,2-Diiodobenzene
- 201230-82-2
carbon monoxide
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| With C57H43IP2Pd; triethylamine at 90℃; under 3750.38 Torr; for 12h; Autoclave; | 96% |
- 64-19-7
acetic acid
- 35679-81-3
(1,10-phenanthroline)-palladium(II) acetate
B
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| at 100℃; for 0.5h; | A 96% B 87% |
- 131-11-3
phthalic acid dimethyl ester
| Conditions | Yield |
|---|---|
| In acetonitrile heating (60°C); | 95% |
| Conditions | Yield |
|---|---|
| With palladium (II) trifluoroacetate; sodium anthraquinone-2-sulfonate; oxygen; magnesium sulfate In chlorobenzene at 110℃; under 760.051 Torr; for 24h; Sealed tube; | 95% |
| With styrene In N,N-dimethyl acetamide at 130℃; under 760.051 Torr; for 7h; Schlenk technique; Inert atmosphere; | 62 %Chromat. |
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 5 mg/m3
Specification
The Dimethylphthalate, with the CAS registry number 131-11-3, has the IUPAC name of dimethyl benzene-1,2-dicarboxylate. For being colorless oily liquid with little aroma, it is stable chemically while incompatible with strong oxidizing agents, strong acids, strong bases, nitrates, and it is very sensitive to prolonged exposure to light. Besides, it could be complete soluble with ethanol and ethyl ether and soluble in benzene or acetone while insoluble in water or mineral oil.
Its product categories are including Phthalates; Organics; Functional Materials; Phthalates (Plasticizer); Plasticizer; Alphabetical Listings; C-D; Flavors and Fragrances; C10 to C11; Carbonyl Compounds; Esters; OthersCosmetics; Allergens; Alpha Sort; D; DAlphabetic; DID - DINMethod Specific.
The physical properties of this chemical are as follows: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.34; (6)ACD/BCF (pH 7.4): 10.34; (7)ACD/KOC (pH 5.5): 185.24; (8)ACD/KOC (pH 7.4): 185.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 49.79 cm3; (15)Molar Volume: 165.2 cm3; (16)Polarizability: 19.74 ×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 146.7 °C; (20)Enthalpy of Vaporization: 52.16 kJ/mol; (21)Boiling Point: 282.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00331 mmHg at 25°C; (23)Exact Mass: 194.057909; (24)MonoIsotopic Mass: 194.057909; (25)Topological Polar Surface Area: 52.6; (26)Heavy Atom Count: 14; (27)Complexity: 200.
The production method of this chemical is below: phthalic anhydride could have the esterification with methyl alcohol for about more than ten hours to get the raw ester; Next go through the process of neutralization, washing, distillation to get this products.
When you are dealing with this chemical, you should be careful. For one thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. For another thing, it is toxic which may at low levels cause damage to health. This chemical is irritating to eyes, respiratory system and skin, and it will be harmful if by inhalation, in contact with skin and if swallowed. Besides, it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed.
Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing and gloves Avoid contact with skin and eyes, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). In addition, keep container tightly closed Keep away from sources of ignition - No smoking.
Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)OC
(2)InChI: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
(3)InChIKey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LCLo | inhalation | 9300mg/m3/6.5 (9300mg/m3) | "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1905, 1963. | |
| chicken | LD50 | oral | 8500uL/kg (8.5mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| dog | LD | oral | > 1400mg/kg (1400mg/kg) | EHP, Environmental Health Perspectives. Vol. 3, Pg. 61, 1973. | |
| guinea pig | LD50 | oral | 2400uL/kg (2.4mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| guinea pig | LD50 | skin | > 10mL/kg (10mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| guinea pig | LD50 | unreported | 4800mg/kg (4800mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. | |
| mouse | LD50 | intraperitoneal | 1380mg/kg (1380mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. | |
| mouse | LD50 | oral | 6800mg/kg (6800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: WITHDRAWAL | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 25, 1980. |
| mouse | LD50 | unreported | 6800mg/kg (6800mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. | |
| mouse | LDLo | subcutaneous | 6500mg/kg (6500mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | "Beitrag zur Toxikologie Technischer Weichmachungsmittel, Dissertation," Eller, H., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1937Vol. -, Pg. -, 1937. |
| rabbit | LD50 | oral | 4400uL/kg (4.4mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2A, Pg. 2343, 1981. | |
| rat | LD50 | intraperitoneal | 3375uL/kg (3.375mL/kg) | Journal of Pharmaceutical Sciences. Vol. 61, Pg. 51, 1972. | |
| rat | LD50 | oral | 6800mg/kg (6800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: WITHDRAWAL | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 25, 1980. |
| rat | LD50 | skin | > 4800mg/kg (4800mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A154, Pg. 1983, | |
| rat | LD50 | unreported | 9500mg/kg (9500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. |