Products Categories
| CAS No.: | 605-50-5 |
|---|---|
| Name: | diisopentyl phthalate |
| Molecular Structure: | |
|
|
|
| Formula: | C18H26O4 |
| Molecular Weight: | 306.402 |
| Synonyms: | Phthalic acid, diisopentyl ester (6CI,7CI,8CI);Bis(3-methylbutyl) phthalate;Diisoamyl phthalate;NSC17070;Palatinol DIPP;1,2-Benzenedicarboxylicacid, bis(3-methylbutyl) ester (9CI); |
| EINECS: | 210-088-4 |
| Density: | 1.028 g/cm3 |
| Melting Point: | 334 °C (decomp) |
| Boiling Point: | 318.7 °C at 760 mmHg |
| Flash Point: | 167.1 °C |
| Risk Codes: | 61-60-50/53 |
| Safety: | 53-61 |
| PSA: | 52.60000 |
| LogP: | 4.09240 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:31 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The CAS registry number of 1,2-Benzenedicarboxylicacid, 1,2-bis(3-methylbutyl) ester is 605-50-5. Its EINECS registry number is 210-088-4. In addition, the molecular formula is C18H26O4 and the molecular weight is 236.26. The systematic name is bis(3-methylbutyl) benzene-1,2-dicarboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,2-Benzenedicarboxylicacid, 1,2-bis(3-methylbutyl) ester are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.52; (5)ACD/BCF (pH 5.5): 9234.11; (6)ACD/BCF (pH 7.4): 9234.11; (7)ACD/KOC (pH 5.5): 23989.42; (8)ACD/KOC (pH 7.4): 23989.42; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 86.77 cm3; (14)Molar Volume: 298 cm3; (15)Polarizability: 34.4 ×10-24cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 1.028 g/cm3; (18)Flash Point: 167.1 °C; (19)Enthalpy of Vaporization: 56.03 kJ/mol; (20)Boiling Point: 318.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000354 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC(C)C)c1ccccc1C(=O)OCCC(C)C
(2)InChI: InChI=1/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
(3)InChIKey: JANBFCARANRIKJ-UHFFFAOYAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 1532mg/kg (1532mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967. |