CAS No.84-69-5,Diisobutyl phthalate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	84-69-5
Name:	Diisobutyl phthalate
Article Data:	13

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

Synthetic route

: 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

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

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

Conditions	Yield
With sodium

: C16H22O4(1-)

A: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

B CO2 anion radical: CO2 anion radical

Conditions

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

A: (isobutyl)(2-ethylhexyl) phthalate

B: 117-81-7
Di(2-ethylhexyl)phthalate

C: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

Conditions

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;

...Expand

: 85-44-9
phthalic anhydride

: 3452-97-9, 140237-84-9, 140237-85-0
isononanol

: 78-83-1
2-methyl-propan-1-ol

A: (isobutyl)(3,5,5-trimethylhexyl) phthalate

B: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

C: 14103-61-8
Di-isononyl phthalate

Conditions

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;

...Expand

: 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

Conditions	Yield
With Ag nanoparticles (NPs) loaded AgBr mesoporous tungsten(VI) oxide composite In water at 20℃; Kinetics; Reagent/catalyst; UV-irradiation;

...Expand

: 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

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%

...Expand

: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

: 30833-53-5
phtalic acid mono-iso-butyl ester

Conditions

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;

MgCl2. EtOH adduct: MgCl2. EtOH adduct

: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

: 7550-45-0
titanium tetrachloride

Reaxys ID: 11558954: Reaxys ID: 11558954

Conditions

Conditions	Yield
at 120℃; for 1.66667h;

...Expand

Raw Materials

85-44-9

78-83-1

84-66-2

Downstream Products

30833-53-5

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Consensus Reports

Reported in EPA TSCA Inventory.

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.

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.