-
Name
DIBUTYL ISOPHTHALATE
- EINECS
- CAS No. 3126-90-7
- Density 1.053g/cm3
- Solubility
- Melting Point
- Formula C16H22 O4
- Boiling Point 341.8°Cat760mmHg
- Molecular Weight 278.348
- Flash Point 180.2°C
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Benzenedicarboxylicacid, dibutyl ester (9CI); Isophthalic acid, dibutyl ester (6CI,7CI,8CI); Butylisophthalate; DBMP; Di-n-butyl isophthalate; Dibutyl isophthalate; NSC 6348
- PSA 52.60000
- LogP 3.60040
Dibutyl isophthalate Chemical Properties
Product Name: Dibutyl isophthalate (CAS NO.3126-90-7)
Molecular Formula: C16H22O4
Molecular Weight: 278.34g/mol
Mol File: 3126-90-7.mol
Boiling point: 341.8 °C at 760 mmHg
Flash Point: 180.2 °C
Density: 1.053 g/cm3
Surface Tension: 37.9 dyne/cm
Enthalpy of Vaporization: 58.55 kJ/mol
Vapour Pressure: 7.84E-05 mmHg at 25°C
XLogP3-AA: 5.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Dibutyl isophthalate (CAS NO.3126-90-7):
IUPAC Name: dibutyl benzene-1,3-dicarboxylate
Canonical SMILES: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC
InChI: InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey: GOPWOUQJIMLDDM-UHFFFAOYSA-N
Dibutyl isophthalate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 1392mg/kg (1392mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967. |
Dibutyl isophthalate Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Dibutyl isophthalate Specification
Dibutyl isophthalate ,its CAS NO. is 3126-90-7,the synonyms is 1,3-Benzenedicarboxylic acid, dibutyl ester ; BRN 2217869 ; Isophthalic acid, dibutyl ester ; NSC 6348 .
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