Product Name

  • Name

    2-Ethylhexyl phthalate

  • EINECS 204-211-0
  • CAS No. 117-81-7
  • Article Data33
  • CAS DataBase
  • Density 0.983 g/cm3
  • Solubility 0.27 mg/L at 25 °C in water
  • Melting Point -50 °C
  • Formula C24H38O4
  • Boiling Point 384.9 °C at 760 mmHg
  • Molecular Weight 390.563
  • Flash Point 204.5 °C
  • Transport Information UN 1230 3/PG 2
  • Appearance colorless to pale yellow oily liquid
  • Safety 53-45-36/37-16
  • Risk Codes 60-61-39/23/24/25-23/24/25-11
  • Molecular Structure Molecular Structure of 117-81-7 (2-Ethylhexyl phthalate)
  • Hazard Symbols ToxicT,FlammableF
  • Synonyms Bis(2-ethylhexyl)phthalate;1,2-Benzenedicarboxylicacid, bis(2-ethylhexyl) ester (9CI);Phthalic acid, bis(2-ethylhexyl) ester(6CI,8CI);2-Ethylhexyl phthalate;3315AF2;Bis(2-ethylhexyl)1,2-benzenedicarboxylate;Bis(2-ethylhexyl) o-phthalate;Bisoflex 81;Bisoflex DOP;Compound 889;Corflex 400;Ethylhexyl phthalate;Eviplast 80;Eviplast 81;Fleximel;Flexol DOD;Flexol DOP;NSC 17069;Octoil;Octyl phthalate;Palatinol AH;Palatinol AH-L;Palatinol DOP;Phthalicacid di(2-ethylhexyl) ester;Phthalic acid dioctyl ester;Pittsburgh PX 138;Plasthall DOP;Dioctyl Phthalate;
  • PSA 52.60000
  • LogP 6.43300

Synthetic route

phthalic anhydride
85-44-9

phthalic anhydride

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With 3,3′-(2,2-bis(hydroxymethyl)propane-1,3-diyl)bis(1-methyl-1H-imidazol-3-ium) hydrogen sulfate for 2h; Dean-Stark; Reflux;100%
With diacidic ionic liquid supported on magnetic-silica nanoparticles In neat (no solvent) at 118℃; for 1h; Dean-Stark;100%
tetrabutoxytitanium for 5.41667h; azeotropic distillation;99.8%
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

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

benzene-1,2-dicarboxylic acid

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 1h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry;90%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;86%
With toluene-4-sulfonic acid
With methanesulfonic acid at 140 - 150℃; for 6h; Inert atmosphere; Dean-Stark;
phthalic anhydride
85-44-9

phthalic anhydride

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

butan-1-ol
71-36-3

butan-1-ol

A

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

Di(2-ethylhexyl)phthalate

B

Phthalic acid dibutyl ester
84-74-2

Phthalic acid dibutyl ester

C

1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester
85-69-8

1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester

Conditions
ConditionsYield
sulfuric acid Heating; Title compound not separated from byproducts;A 43%
B 15.1%
C 41.9%
...Expand
phthalic anhydride
85-44-9

phthalic anhydride

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

A

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

Di(2-ethylhexyl)phthalate

B

(2-ethylhexyl) hydrogen phthalate
4376-20-9

(2-ethylhexyl) hydrogen phthalate

C

1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester
85-69-8

1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester

Conditions
ConditionsYield
tetrabutoxytitanium for 2.5h; Heating; other catalysts other reaction time degree of esterification estimated by titration with KOH; Title compound not separated from byproducts;A n/a
B n/a
C 2.3%
...Expand
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

(2-ethylhexyl) hydrogen phthalate
4376-20-9

(2-ethylhexyl) hydrogen phthalate

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
tetrabutoxytitanium for 100h; Mechanism; further catalysts; mechanism of catalysis of the esterification;
With Ce(4+)*2HO4P(2-)*4.9H2O In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 8h; Catalytic behavior; Reagent/catalyst; Green chemistry;
2-ethylhexyl bromide
18908-66-2

2-ethylhexyl bromide

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

benzene-1,2-dicarboxylic acid

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With potassium hydroxide; Aliquat 336 1.) 60 deg C, 0.1 Torr, 6 h, 2.) 85 deg C, 24 h; Yield given. Multistep reaction;
municipal solid waste

municipal solid waste

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With air incineration; Formation of xenobiotics;
high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg

high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With air at 850℃; for 0.0277778h; Formation of xenobiotics;
benzopyrene
50-32-8

benzopyrene

A

phthalic anhydride
85-44-9

phthalic anhydride

B

pentadecane
629-62-9

pentadecane

C

2-(1-methylethyl)-1-pentene
16746-02-4

2-(1-methylethyl)-1-pentene

D

Hexadecane
544-76-3

Hexadecane

E

2-ethyl-3,4,4-trimethyl-pent-1-ene

2-ethyl-3,4,4-trimethyl-pent-1-ene

F

octadecane
593-45-3

octadecane

G

n-nonadecane
629-92-5

n-nonadecane

H

heneicosane
629-94-7

heneicosane

I

2,3,4,5-tetramethyl-2-hexene

2,3,4,5-tetramethyl-2-hexene

J

4,5-dimethyl-3-ethyl-1-hexene

4,5-dimethyl-3-ethyl-1-hexene

K

6,8-dimethyl-3-nonene

6,8-dimethyl-3-nonene

L

3,4-dimethyl-2-propyl-1-pentene

3,4-dimethyl-2-propyl-1-pentene

M

4-methyl-2-isopropyl-1-hexene

4-methyl-2-isopropyl-1-hexene

N

4,5-dimethyl-2-ethyl-1-hexene

4,5-dimethyl-2-ethyl-1-hexene

O

3,4-dimethyl-2-ethyl-1-hexene

3,4-dimethyl-2-ethyl-1-hexene

P

3,5-dimethyl-2-isopropyl-1-hexene

3,5-dimethyl-2-isopropyl-1-hexene

Q

9-methyl-3-decene

9-methyl-3-decene

R

butanoic vinyl anhydride
59914-18-0

butanoic vinyl anhydride

S

4-methyl-5-methanal-chrysene

4-methyl-5-methanal-chrysene

T

7-methyl-8-propanalpyrene

7-methyl-8-propanalpyrene

U

propyl benzoate
2315-68-6

propyl benzoate

V

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

Di(2-ethylhexyl)phthalate

W

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

X

2-isobutyl-3-methyl-pent-1-ene
52763-11-8

2-isobutyl-3-methyl-pent-1-ene

Y

diisonoyl phthalate
20548-62-3

diisonoyl phthalate

Z

3-methylchrysene
3351-31-3

3-methylchrysene

Conditions
ConditionsYield
With oxygen; ozone In water
...Expand
crushed scrap tires

crushed scrap tires

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
With synthetic air at 450℃; Formation of xenobiotics;
at 750℃; Formation of xenobiotics;
phthalic anhydride
85-44-9

phthalic anhydride

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

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

2-methyl-propan-1-ol

A

(isobutyl)(2-ethylhexyl) phthalate

(isobutyl)(2-ethylhexyl) phthalate

B

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

Di(2-ethylhexyl)phthalate

C

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

1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

Conditions
ConditionsYield
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
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

o-xylene
95-47-6

o-xylene

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

Di(2-ethylhexyl)phthalate

Conditions
ConditionsYield
Stage #1: o-xylene With oxygen; zirconium(IV) acetate at 200℃; under 15001.5 Torr; for 0.5h;
Stage #2: 2-Ethylhexyl alcohol With toluene-4-sulfonic acid at 150℃; for 2h;
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

(2-ethylhexyl) hydrogen phthalate
4376-20-9

(2-ethylhexyl) hydrogen phthalate

Conditions
ConditionsYield
With Tris-HCl buffer; mouse hepatic microsomal esterase ES46.5K In acetone at 37℃; pH=8.0; Enzyme kinetics; Further Variations:; Reagents; Hydrolysis;
Microbiological reaction;
4-chloro-hex-2t-ene
68318-01-4

4-chloro-hex-2t-ene

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

Di(2-ethylhexyl)phthalate

hydrogenchloride
7647-01-0

hydrogenchloride

Conditions
ConditionsYield
at 110 - 140℃;
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
84-71-9

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

Conditions
ConditionsYield
With hydrogen In hexane at 159.84℃; under 30003 Torr;
With hydrogen In neat (no solvent) at 80℃; under 51683.5 Torr; for 1h; Temperature; Pressure;
With ruthenium-carbon composite; hydrogen In ethanol at 119.84℃; under 30003 Torr; for 10h; Reagent/catalyst; Temperature; Autoclave;99 %Chromat.
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

diisooctyl phthalate

diisooctyl phthalate

C24H44O4

C24H44O4

Conditions
ConditionsYield
With hydrogen at 200℃; under 760.051 Torr; Reagent/catalyst; Pressure; Solvent;
ytterbium citrate

ytterbium citrate

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

Di(2-ethylhexyl)phthalate

C6H5O7(3-)*Yb(3+)*3C24H38O4

C6H5O7(3-)*Yb(3+)*3C24H38O4

Conditions
ConditionsYield
In tetrahydrofuran Reflux;
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

C26H41NO6

C26H41NO6

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: nitric acid; sulfuric acid / 5 h / 60 °C / Cooling with ice
2: ammonium chloride; iron / ethanol / 5 h / 50 °C
3: potassium carbonate; potassium iodide / ethanol / 60 °C
View Scheme
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

C24H37NO6

C24H37NO6

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 60℃; for 5h; Cooling with ice;
With sulfuric acid; nitric acid at 20 - 60℃; for 5h; Cooling with ice;
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

C24H39NO4

C24H39NO4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid; sulfuric acid / 5 h / 60 °C / Cooling with ice
2: ammonium chloride; iron / ethanol / 5 h / 50 °C
View Scheme
Multi-step reaction with 2 steps
1: nitric acid; sulfuric acid / 5 h / 20 - 60 °C / Cooling with ice
2: ammonium chloride; iron / ethanol / 5 h / 50 °C
View Scheme
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

C28H43NO7

C28H43NO7

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: nitric acid; sulfuric acid / 5 h / 20 - 60 °C / Cooling with ice
2: ammonium chloride; iron / ethanol / 5 h / 50 °C
3: pyridine / 40 °C
View Scheme
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

A

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
84-71-9

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

B

di(2-ethylhexyl) tetrahydrophthalate

di(2-ethylhexyl) tetrahydrophthalate

Conditions
ConditionsYield
With ruthenium-carbon composite; hydrogen In ethanol at 119.84℃; under 30003 Torr; for 6h; Autoclave;A 79 %Chromat.
B n/a
Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

di(2-ethylhexyl) tetrahydrophthalate

di(2-ethylhexyl) tetrahydrophthalate

Conditions
ConditionsYield
With ruthenium-carbon composite; hydrogen In ethanol at 119.84℃; under 30003 Torr; for 1h; Autoclave;

Bis(2-ethylhexyl)phthalate Specification

Bis(2-ethylhexyl)phthalate,with the CAS registry number 117-81-7, it is also named as Diethylhexyl phthalate. The product's categories are Phthalates; Piperazine derivates; Analytical Chemistry; Environmental Endocrine Disruptors; Functional Materials; Phthalates (Environmental Endocrine Disruptors); Phthalates (Plasticizer); Plasticizer; BI - BZCosmetics; PhthalatesMethod Specific; Plasticizers (phthalates)Method Specific; 2000/60/EC; A-BAlphabetic; Allergens; Alpha Sort; B; European Community: ISO and DIN; Oeko-Tex Standard 100; Volatiles/ Semivolatiles, and the other registry numbers are 109630-52-6; 126639-29-0; 137718-37-7; 205180-59-2; 275818-89-8; 40120-69-2; 50885-87-5; 607374-50-5; 8033-53-2. Besides, it is colorless to pale yellow oily liquid, which should be stored in a cool, ventilated warehouse at 2-8 °C. In addition, its molecular formula is C24H38O4 and molecular weight is 390.56.

The other characteristics of this product can be summarized as: (1)EINECS: 204-211-0; (2)ACD/LogP: 8.71; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 8.71; (5)ACD/LogD (pH 7.4): 8.71; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 1301205.88; (9)ACD/KOC (pH 7.4): 1301205.88; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 16; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 114.57 cm3; (15)Molar Volume: 397 cm3; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 0.983 g/cm3; (18)Flash Point: 204.5 °C; (19)Melting point: -50 °C; (20)Water Solubility: 0.27 mg/L at 25 °C; (21)Enthalpy of Vaporization: 63.37 kJ/mol; (22)Boiling Point: 384.9 °C at 760 mmHg; (23)Vapour Pressure: 3.95E-06 mmHg at 25 °C.

Preparation of Bis(2-ethylhexyl)phthalate: this chemical can be prepared by the reaction of Phthalic anhydride with 2-Ethylhexanol.
C6H4(CO)2O + 2 C8H17OH → C6H4(CO2C8H17)2 + H2O

Uses of Bis(2-ethylhexyl)phthalate: this chemical is used in manufacturing of articles made of PVC as a plasticizer widely. It is also used as a solvent in lightsticks. Furthermore, it can be used as a hydraulic fluid and as a dielectric fluid in capacitors.

When you are using this chemical, please be cautious about it as the following: it is highly flammable, so please keep away from sources of ignition. It may impair fertility. It is also toxic by inhalation, in contact with skin and if swallowed. And it is danger of very serious irreversible effects. Moreover, it may cause harm to the unborn child. You should wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible). Additionally, you should avoid exposure - obtain special instructions before use.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC;
(2)InChI: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;
(3)InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 26gm/kg (26000mg/kg)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 269, 1982.
guinea pig LD50 skin 10gm/kg (10000mg/kg)   EHP, Environmental Health Perspectives. Vol. 4, Pg. 3, 1973.
guinea pig LD50 unreported 40500mg/kg (40500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.
man TDLo oral 143mg/kg (143mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 130, 1945.
mouse LD50 intraperitoneal 14gm/kg (14000mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: EXCITEMENT		 Journal of Pharmaceutical Sciences. Vol. 55, Pg. 158, 1966.
mouse LD50 intravenous 1060mg/kg (1060mg/kg)   National Technical Information Service. Vol. PB250-102,
mouse LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

GASTROINTESTINAL: NECROTIC GHANGES		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 2, Pg. 59, 1961.
mouse LD50 unreported 7gm/kg (7000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.
mouse LDLo skin 4gm/kg (4000mg/kg) SKIN AND APPENDAGES (SKIN): OTHER GLANDS: OTHER Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(6), Pg. 35, 1980.
rabbit LD intraperitoneal > 31mL/kg (31mL/kg)   AMA Archives of Industrial Health. Vol. 13, Pg. 259, 1956.
rabbit LD50 oral 34gm/kg (34000mg/kg)   EHP, Environmental Health Perspectives. Vol. 4, Pg. 3, 1973.
rabbit LD50 skin 25gm/kg (25000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 130, 1945.
rat LD50 intraperitoneal 30700mg/kg (30700mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 130, 1945.
rat LD50 intravenous 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 45, Pg. 230, 1978.
rat LD50 oral 30gm/kg (30000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 32, 1975.
rat LD50 unreported 47gm/kg (47000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.
rat LDLo intratracheal 30mg/kg (30mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BLOOD: HEMORRHAGE		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 2, Pg. 59, 1961.
rat LDLo skin 4gm/kg (4000mg/kg) SKIN AND APPENDAGES (SKIN): OTHER GLANDS: OTHER Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(6), Pg. 35, 1980.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View