CAS No.131-11-3,Dimethyl phthalate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	131-11-3
Name:	Dimethyl phthalate
Article Data:	173

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
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

Synthetic route

: 119920-93-3, 119886-14-5
(2,3-dicarbomethoxy-7-(carbethoxy)-7-azanorbornadiene)tricarbonyliron

: 131-11-3
phthalic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile heating (60°C);	100%

: 67-56-1
methanol

: 88-99-3
benzene-1,2-dicarboxylic acid

: 131-11-3
phthalic acid dimethyl ester

Conditions

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

Conditions	Yield
With acetamide; toluene-4-sulfonic acid for 0.166667h; Beller reaction; microwave irradiation;	98%

: [Pd(OAc){C6H3(CO2Me)2-3,4}(phen)]

: 64-19-7
acetic acid

: 35679-81-3
(1,10-phenanthroline)-palladium(II) acetate

B: 131-11-3
phthalic acid dimethyl ester

Conditions

Conditions	Yield
at 100℃; for 0.5h;	A 98% B 78%

...Expand

: 88-99-3
benzene-1,2-dicarboxylic acid

: 616-38-6
carbonic acid dimethyl ester

: 131-11-3
phthalic acid dimethyl ester

Conditions

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%

: 67-56-1
methanol

: 85-44-9
phthalic anhydride

: 131-11-3
phthalic acid dimethyl ester

Conditions

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

Conditions	Yield
With C57H43IP2Pd; triethylamine at 90℃; under 3750.38 Torr; for 12h; Autoclave;	96%

...Expand

: [Pd(OAc){C6H3(CO2Me)2-2,3}(phen)]

: 64-19-7
acetic acid

: 35679-81-3
(1,10-phenanthroline)-palladium(II) acetate

B: 131-11-3
phthalic acid dimethyl ester

Conditions

Conditions	Yield
at 100℃; for 0.5h;	A 96% B 87%

...Expand

: (C6H4N(COOCH3)3)Fe(CO)3

: 131-11-3
phthalic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile heating (60°C);	95%

: 7500-55-2
dimethyl cyclohex-4-ene-1,2-dicarboxylate

: 131-11-3
phthalic acid dimethyl ester

Conditions

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

Reported in EPA TSCA Inventory. Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 5 mg/m³
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.