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Molecule
Dibutoxy Ethyl Phthalate
CAS: 117-83-9 · C20H30O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 117-83-9
- Molecular Formula
- C20H30O6
- Molecular Mass
- 366.45 g/mol
Identifiers
CAS Registry Number
117-83-9
SMILES
CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC
InChI Key
CMCJNODIWQEOAI-UHFFFAOYSA-N
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
Names and Synonyms
- Dibutoxy Ethyl Phthalate Common Name
- 1,2-Benzenedicarboxylic acid, 1,2-bis(2-butoxyethyl) ester Synonym
- Phthalic acid, bis(2-butoxyethyl) ester Synonym
- 1,2-Benzenedicarboxylic acid, bis(2-butoxyethyl) ester Synonym
- Ethanol, 2-butoxy-, phthalate (2:1) Synonym
- Bis(2-butoxyethyl) phthalate Synonym
- β-Butoxyethyl phthalate Synonym
- Butyl glycol phthalate Synonym
- Kesscoflex BCP Synonym
- Kronisol Synonym
- Palatinol K Synonym
- Plasthall DBEP Synonym
- Sansocizer C 1100 Synonym
- Di(ethylene glycol butyl ether) phthalate Synonym
- Plasthall 200DBEP Synonym
- Bis(2-n-butoxyethyl) phthalate Synonym
- Sankonol 0882-0 Synonym
- NSC 4840 Synonym
- DBMP Synonym
- Di(2-butoxyethyl) phthalate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.45 g/mol | CAS Common Chemistry |
| 366.4540000000003 g/mol | RDKit | |
| 366.454 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.06 g/cm3 @ 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 |
| 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 |
| 3.6336 | RDKit | |
| Molar Refractivity | 98.46100000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 366.20423868 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 366.45 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H30O6.
