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Isopropyl Palmitate
CAS: 142-91-6 | C19H38O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-91-6
Molecular Formula:
C19H38O2
Molecular Mass:
298.51 g/mol
Names and Synonyms:
Isopropyl Palmitate
Hexadecanoic acid, 1-methylethyl ester
Palmitic acid, isopropyl ester
Deltyl
Deltyl Prime
Emcol IP
Isopal
Isopropyl palmitate
Propal
Sinnoester PIT
Kessco IPP
Wickenol 111
Crodamol IPP
Emerest 2316
Isopalm
Stepan D 70
Isopropyl hexadecanoate
Nikkol IPP
IPP
1-Methylethyl hexadecanoate
Exceparl IPP
Estol 1517
IPP-EX
Palmsurf IPP 98
Lexol IPP
NSC 69169
Versagel MP 1600
Stepan IPP
Neoderm IPP
Nikkol IPP-EX
SR Crodamol IPP-LQ
IPP-R
Radia 7732
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC(C)C
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
Key Properties
Boiling Point
160 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
13.5 °C
CAS Common Chemistry
Density
0.84 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 | 298.51 g/mol | CAS Common Chemistry |
| 298.51099999999997 g/mol | RDKit | |
| 298.287180456 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8404 g/cm3 @ Temp: 38 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_palmitate | CAS Common Chemistry |
| Boiling Point | 160 °C @ Press: 2 Torr | 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 |
| Molar Refractivity | 91.54000000000008 | RDKit |
