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CAS No.: | 117-81-7 |
---|---|
Name: | 2-Ethylhexyl phthalate |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C24H38O4 |
Molecular Weight: | 390.563 |
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; |
EINECS: | 204-211-0 |
Density: | 0.983 g/cm3 |
Melting Point: | -50 °C |
Boiling Point: | 384.9 °C at 760 mmHg |
Flash Point: | 204.5 °C |
Solubility: | 0.27 mg/L at 25 °C in water |
Appearance: | colorless to pale yellow oily liquid |
Hazard Symbols: | T,F |
Risk Codes: | 60-61-39/23/24/25-23/24/25-11 |
Safety: | 53-45-36/37-16 |
Transport Information: | UN 1230 3/PG 2 |
PSA: | 52.60000 |
LogP: | 6.43300 |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
2-Ethylhexyl alcohol
butan-1-ol
A
Di(2-ethylhexyl)phthalate
B
Phthalic acid dibutyl ester
C
1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester
Conditions | Yield |
---|---|
sulfuric acid Heating; Title compound not separated from byproducts; | A 43% B 15.1% C 41.9% |
phthalic anhydride
2-Ethylhexyl alcohol
A
Di(2-ethylhexyl)phthalate
B
(2-ethylhexyl) hydrogen phthalate
C
1,2-benzenedicarboxylic acid 1-butyl 2-ethylhexyl ester
Conditions | Yield |
---|---|
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% |
2-Ethylhexyl alcohol
(2-ethylhexyl) hydrogen phthalate
Di(2-ethylhexyl)phthalate
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
With potassium hydroxide; Aliquat 336 1.) 60 deg C, 0.1 Torr, 6 h, 2.) 85 deg C, 24 h; Yield given. Multistep reaction; |
Di(2-ethylhexyl)phthalate
Conditions | Yield |
---|---|
With air incineration; Formation of xenobiotics; |
Di(2-ethylhexyl)phthalate
Conditions | Yield |
---|---|
With air at 850℃; for 0.0277778h; Formation of xenobiotics; |
benzopyrene
A
phthalic anhydride
B
pentadecane
C
2-(1-methylethyl)-1-pentene
D
Hexadecane
F
octadecane
G
n-nonadecane
H
heneicosane
R
butanoic vinyl anhydride
U
propyl benzoate
V
Di(2-ethylhexyl)phthalate
W
benzoic acid ethyl ester
X
2-isobutyl-3-methyl-pent-1-ene
Y
diisonoyl phthalate
Z
3-methylchrysene
Conditions | Yield |
---|---|
With oxygen; ozone In water |
Di(2-ethylhexyl)phthalate
Conditions | Yield |
---|---|
With synthetic air at 450℃; Formation of xenobiotics; | |
at 750℃; Formation of xenobiotics; |
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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. |