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| CAS No.: | 84-69-5 |
|---|---|
| Name: | Diisobutyl phthalate |
| Molecular Structure: | |
|
|
|
| Formula: | C16H22O4 |
| Molecular Weight: | 278.348 |
| Synonyms: | 1,2-Benzenedicarboxylicacid, bis(2-methylpropyl) ester (9CI);Phthalic acid, diisobutyl ester (6CI,7CI,8CI);1,2-Benzenedicarboxylic acid diisobutyl ester;2-Methylpropyl phthalate;Bis(2-methylpropyl) phthalate;Di(2-methylpropyl) phthalate;Di(isobutyl)1,2-benzenedicarboxylate;Di-iso-Butyl phthalate;Isobutyl phthalate;NSC 15316;Palatinol IC;Reomol DiBP; |
| EINECS: | 201-553-2 |
| Density: | 1.05 g/cm3 |
| Melting Point: | -64 °C |
| Boiling Point: | 295.3 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| Solubility: | insoluble in water |
| Appearance: | oily colorless liquid with a slight ester odor |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 50/53-63-62 |
| Safety: | 60-61-36/37 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 52.60000 |
| LogP: | 3.31220 |
- 852475-26-4MC1568
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- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 85-44-9
phthalic anhydride
- 78-83-1
2-methyl-propan-1-ol
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride; 2-methyl-propan-1-ol at 120 - 150℃; for 4h; Stage #2: With calcium oxide at 20℃; for 1h; Reagent/catalyst; | 99.5% |
| With sulfonated graphene In toluene at 112℃; for 4h; | 95% |
| With toluene at 130℃; Erhitzen des vom Toluol befreiten Reaktionsgemisches bis auf 190grad; | |
| With sulfuric acid; toluene | |
| With sulfuric acid at 135 - 140℃; for 8h; Large scale; |
- 78-83-1
2-methyl-propan-1-ol
- 88-99-3
benzene-1,2-dicarboxylic acid
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
| Conditions | Yield |
|---|---|
| With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 1.5h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry; | 75% |
- 78-83-1
2-methyl-propan-1-ol
- 84-66-2
Diethyl phthalate
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
| Conditions | Yield |
|---|---|
| With sodium |
A
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
| Conditions | Yield |
|---|---|
| With carbon dioxide; tetrabutylammonium perchlorate In N,N-dimethyl-formamide at 25℃; Rate constant; electrochemical reduction; |
- 85-44-9
phthalic anhydride
- 104-76-7
2-Ethylhexyl alcohol
- 78-83-1
2-methyl-propan-1-ol
B
- 117-81-7
Di(2-ethylhexyl)phthalate
C
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride; 2-methyl-propan-1-ol at 130℃; for 1h; Stage #2: 2-Ethylhexyl alcohol; 2-methyl-propan-1-ol; tin oxide at 220℃; under 150.015 Torr; for 7h; Product distribution / selectivity; Dean-Stark trap; |
- 85-44-9
phthalic anhydride
- 3452-97-9, 140237-84-9, 140237-85-0
isononanol
- 78-83-1
2-methyl-propan-1-ol
B
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
C
- 14103-61-8
Di-isononyl phthalate
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride; 2-methyl-propan-1-ol at 130℃; for 1h; Stage #2: isononanol; 2-methyl-propan-1-ol; tin oxide at 220℃; under 150.015 Torr; for 7h; Product distribution / selectivity; Dean-Stark trap; |
- 99-76-3
methyl 4-hydroxylbenzoate
A
- 100-21-0
terephthalic acid
B
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
C
- 108-95-2
phenol
D
- 99-96-7
4-hydroxy-benzoic acid
| Conditions | Yield |
|---|---|
| With Ag nanoparticles (NPs) loaded AgBr mesoporous tungsten(VI) oxide composite In water at 20℃; Kinetics; Reagent/catalyst; UV-irradiation; |
- 75-09-2
dichloromethane
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
- 7550-45-0
titanium tetrachloride
- 130928-30-2
tetrachloro(di-iso-butyl o-phthalate)titanium(IV) dichloromethane
| Conditions | Yield |
|---|---|
| In hexane (N2); dropwise addn. of di-iso-butyl o-phthalate in n-hexane to TiCl4; stirring; filtn. after 1 h; washed with n-hexane; IR; (1)H NMR; | 95% |
- 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
- 30833-53-5
phtalic acid mono-iso-butyl ester
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; dimethyl sulfoxide at 0℃; for 10h; Solvent; | 77% |
| With water; potassium hydroxide In dimethyl sulfoxide at 0℃; for 10h; Solvent; | 77% |
| With Tris-HCl buffer; mouse hepatic microsomal esterase ES46.5K In acetone at 37℃; pH=8.0; Enzyme kinetics; Further Variations:; Reagents; Hydrolysis; |
| Conditions | Yield |
|---|---|
| at 120℃; for 1.66667h; |
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- 104987-11-3Tacrolimus
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- Total:28 Page 1 of 1 1
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Consensus Reports
Specification
The IUPAC name of Diisobutyl phthalate is bis(2-methylpropyl) benzene-1,2-dicarboxylate. With the CAS registry number 84-69-5, it is also named as 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. The product's categories are Functional Materials; Phthalates (Plasticizer); Plasticizer; Plasticizers; Polymer Additives; Polymer Science; C12 to C63; Carbonyl Compounds; Esters. Besides, it is oily colorless liquid with a slight ester odor, which should be stored in a cool, dark and well ventilated warehouse. It reacts with acids to liberate heat along with isobutyl alcohol and phthalic acid. In addition, its molecular formula is C16H22O4 and molecular weight is 278.34.
The other characteristics of this product can be summarized as: (1)EINECS: 201-553-2; (2)ACD/LogP: 4.46; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.46; (5)ACD/LogD (pH 7.4): 4.46; (6)ACD/BCF (pH 5.5): 1437.95; (7)ACD/BCF (pH 7.4): 1437.95; (8)ACD/KOC (pH 5.5): 6337.4; (9)ACD/KOC (pH 7.4): 6337.4; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 8; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 77.51 cm3; (15)Molar Volume: 265 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 153.9 °C; (19)Melting point: -64 °C; (20)FreezingPoint: -50 °C; (21)Enthalpy of Vaporization: 53.5 kJ/mol; (22)Boiling Point: 295.3 °C at 760 mmHg; (23)Vapour Pressure: 0.00154 mmHg at 25 °C.
Preparation of Diisobutyl phthalate: this chemical can be prepared by the esterification of Phthalic anhydride and Isobutanol. This reaction is catalyzed by H2SO4.
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Uses of Diisobutyl phthalate: this chemical is the lowest cost plasticizer for cellulose nitrate. And it can be used in nitro cellulose plastic, nail polish, explosive material, lacquer manufacturing.
When you are using this chemical, please be cautious about it as the following: it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.It is also risk of impaired fertility. And it is possible risk of harm to the unborn child. You should wear suitable protective clothing and gloves. Besides, this material and its container must be disposed of as hazardous waste. Please avoid release to the environment, and refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC(C)C)c1ccccc1C(=O)OCC(C)C
(2)InChI: InChI=1/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
(3)InChIKey: MGWAVDBGNNKXQV-UHFFFAOYAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | 10gm/kg (10000mg/kg) | EHP, Environmental Health Perspectives. Vol. 4, Pg. 3, 1973. | |
| mouse | LD50 | intraperitoneal | 3990mg/kg (3990mg/kg) | Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 667, 1977. | |
| mouse | LD50 | oral | 10gm/kg (10000mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 39, 1985. |
| mouse | LD50 | unreported | 10500mg/kg (10500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. | |
| rat | LD50 | intraperitoneal | 3750uL/kg (3.75mL/kg) | Journal of Pharmaceutical Sciences. Vol. 61, Pg. 51, 1972. | |
| rat | LD50 | oral | 15gm/kg (15000mg/kg) | EHP, Environmental Health Perspectives. Vol. 3, Pg. 131, 1973. | |
| rat | LD50 | unreported | 20500mg/kg (20500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. |