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Dibutoxy Ethyl Phthalate
CAS: 117-83-9 | C20H30O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
117-83-9
Molecular Formula:
C20H30O6
Molecular Mass:
366.45 g/mol
Names and Synonyms:
Dibutoxy Ethyl Phthalate
1,2-Benzenedicarboxylic acid, 1,2-bis(2-butoxyethyl) ester
Phthalic acid, bis(2-butoxyethyl) ester
1,2-Benzenedicarboxylic acid, bis(2-butoxyethyl) ester
Ethanol, 2-butoxy-, phthalate (2:1)
Bis(2-butoxyethyl) phthalate
β-Butoxyethyl phthalate
Butyl glycol phthalate
Kesscoflex BCP
Kronisol
Palatinol K
Plasthall DBEP
Sansocizer C 1100
Di(ethylene glycol butyl ether) phthalate
Plasthall 200DBEP
Bis(2-n-butoxyethyl) phthalate
Sankonol 0882-0
NSC 4840
DBMP
Di(2-butoxyethyl) phthalate
Identifiers:
SMILES:
CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC
InChI:
InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
Key Properties
Boiling Point
270 °C
CAS Common Chemistry
Density
1.06 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 | 366.45 g/mol | CAS Common Chemistry |
| 366.4540000000003 g/mol | RDKit | |
| 366.20423868 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.06 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutoxy_ethyl_phthalate | CAS Common Chemistry |
| Boiling Point | 270 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCCCC)C=1C=CC=CC1C(=O)OCCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CMCJNODIWQEOAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2-butoxyethyl) phthalate | CAS Common Chemistry |
| Dibutoxy ethyl phthalate | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 3.633600000000003 | RDKit |
| Molar Refractivity | 98.46100000000007 | RDKit |
