Products Categories
CAS No.: | 4654-26-6 |
---|---|
Name: | dioctyl terephthalate |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C24H38O4 |
Molecular Weight: | 390.563 |
Synonyms: | Dioctyl benzene-1,4-dicarboxylate;Terephthalic acid, dioctyl ester (6CI,7CI,8CI);Di-n-octylterephthalate; |
EINECS: | 225-091-6 |
Density: | 0.985 g/cm3 |
Melting Point: | 41-42 °C |
Boiling Point: | 423.216 °C at 760 mmHg |
Flash Point: | 226.171 °C |
PSA: | 52.60000 |
LogP: | 6.72120 |
Conditions | Yield |
---|---|
With dmap; triethylamine In toluene at 100℃; for 48h; | 63% |
Conditions | Yield |
---|---|
With silica gel; zinc trifluoromethanesulfonate for 0.1h; microwave irradiation; | 62% |
Conditions | Yield |
---|---|
With sodium |
Conditions | Yield |
---|---|
With potassium hydroxide; tetrabutylammomium bromide 1.) 60 deg C, 0.1 Torr, 6 h, 2.) 85 deg C, 80 h; Yield given. Multistep reaction; | |
With tetrabutylammomium bromide; potassium carbonate at 227℃; for 0.116667h; Irradiation; | 92 % Chromat. |
Conditions | Yield |
---|---|
With 4 A molecular sieve; Mucor miehei lipase In di-isopropyl ether at 60℃; for 240h; | A 66 % Chromat. B 30 % Chromat. |
With 4 A molecular sieve; Mucor miehei lipase In di-isopropyl ether at 60℃; |
dioctyl terephthalate
terephthalic acid monooctyl ester
Conditions | Yield |
---|---|
With potassium hydroxide |
What can I do for you?
Get Best Price
The 1,4-Benzenedicarboxylic acid, dioctyl ester, with the CAS registry number 4654-26-6, is also known as Dioctyl terephthalate. Its EINECS registry number is 225-091-6. This chemical's molecular formula is C24H38O4 and molecular weight is 390.56. What's more, its IUPAC name is called Dioctyl benzene-1,4-dicarboxylate.
Physical properties about 1,4-Benzenedicarboxylic acid, dioctyl ester are: (1)ACD/LogP: 9.506; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.51; (4)ACD/LogD (pH 7.4): 9.51; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 3535683.00; (8)ACD/KOC (pH 7.4): 3535683.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 114.659 cm3; (15)Molar Volume: 396.313 cm3; (16)Polarizability: 45.455×10-24cm3; (17)Surface Tension: 36.476001739502 dyne/cm; (18)Density: 0.985 g/cm3; (19)Flash Point: 226.171 °C; (20)Enthalpy of Vaporization: 67.751 kJ/mol; (21)Boiling Point: 423.216 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1
(2) InChI: InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
(3) InChIKey: OEIWPNWSDYFMIL-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 3200mg/kg (3200mg/kg) | Food and Chemical Toxicology. Vol. 33, Pg. 971, 1995. | |
mouse | LD50 | oral | > 3200mg/kg (3200mg/kg) | Food and Chemical Toxicology. Vol. 33, Pg. 971, 1995. | |
rat | LD | intraperitoneal | > 3200mg/kg (3200mg/kg) | Food and Chemical Toxicology. Vol. 33, Pg. 971, 1995. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 33, Pg. 971, 1995. |