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Molecule
Isopropyl Palmitate
CAS: 142-91-6 · C19H38O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-91-6
- Molecular Formula
- C19H38O2
- Molecular Mass
- 298.51 g/mol
Identifiers
CAS Registry Number
142-91-6
SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C
InChI Key
XUGNVMKQXJXZCD-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
Names and Synonyms
- Isopropyl Palmitate Common Name
- Hexadecanoic acid, 1-methylethyl ester Synonym
- Palmitic acid, isopropyl ester Synonym
- Deltyl Synonym
- Deltyl Prime Synonym
- Emcol IP Synonym
- Isopal Synonym
- Isopropyl palmitate Synonym
- Propal Synonym
- Sinnoester PIT Synonym
- Kessco IPP Synonym
- Wickenol 111 Synonym
- Crodamol IPP Synonym
- Emerest 2316 Synonym
- Isopalm Synonym
- Stepan D 70 Synonym
- Isopropyl hexadecanoate Synonym
- Nikkol IPP Synonym
- IPP Synonym
- 1-Methylethyl hexadecanoate Synonym
- Exceparl IPP Synonym
- Estol 1517 Synonym
- IPP-EX Synonym
- Palmsurf IPP 98 Synonym
- Lexol IPP Synonym
- NSC 69169 Synonym
- Versagel MP 1600 Synonym
- Stepan IPP Synonym
- Neoderm IPP Synonym
- Nikkol IPP-EX Synonym
- SR Crodamol IPP-LQ Synonym
- IPP-R Synonym
- Radia 7732 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.51 g/mol | CAS Common Chemistry |
| 298.51099999999997 g/mol | RDKit | |
| 298.511 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8404 g/cm3 @ 38 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XUGNVMKQXJXZCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13.5 °C | CAS Common Chemistry |
| Name | Isopropyl palmitate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.419300000000007 | RDKit |
| 6.4193 | RDKit | |
| 6.78 | chempirical lib | |
| Molar Refractivity | 91.54000000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9474 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 298.287180456 g/mol | RDKit |
| Boiling Point | 160 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
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MW = 298.51 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H38O2.
