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Dibutyl Phthalate
CAS: 84-74-2 | C16H22O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84-74-2
Molecular Formula:
C16H22O4
Molecular Mass:
278.35 g/mol
Names and Synonyms:
Dibutyl Phthalate
1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester
Phthalic acid, dibutyl ester
1,2-Benzenedicarboxylic acid, dibutyl ester
PX 104
Celluflex DPB
Dibutyl phthalate
Di-n-butyl phthalate
Elaol
Palatinol C
Polycizer DBP
Staflex DBP
Witcizer 300
Hexaplas M/B
Butyl phthalate
n-Butyl phthalate
Genoplast B
Unimoll DB
DBP
Ergoplast FDB
Di(n-butyl) 1,2-benzenedicarboxylate
Dibutyl o-phthalate
DBP (ester)
Bis-n-butyl phthalate
Hatco DBP
Phthalic acid di-n-butyl ester
Corflex 440
Monocizer DBP
Kodaflex DBP
Vestinol C
Plasthall DBP
NSC 6370
Dibutyl ester 1,2-benzenedicarboxylic acid
YH 1BD2
Ruifeng VP 201
VP 201
Identifiers:
SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCCCC
InChI:
InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
Key Properties
Boiling Point
340 °C
CAS Common Chemistry
Melting Point
-35 °C
CAS Common Chemistry
Density
1.05 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.35 g/mol | CAS Common Chemistry |
| 278.348 g/mol | RDKit | |
| 278.151809184 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0465 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutyl_phthalate | CAS Common Chemistry |
| Boiling Point | 340 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)C=1C=CC=CC1C(=O)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35 °C | CAS Common Chemistry |
| Name | Dibutyl phthalate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| LogP | 3.600400000000003 | RDKit |
| Molar Refractivity | 76.82300000000005 | RDKit |
