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Estol 1514
CAS: 110-27-0 | C17H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-27-0
Molecular Formula:
C17H34O2
Molecular Weight:
270.45699999999994 g/mol
Names and Synonyms:
Estol 1514
NSC 406280
IPM-EX
Lexol IPM
Crodacol IPM
Isopropyl Myristate
Tetradecanoic acid, 1-methylethyl ester
Myristic acid, isopropyl ester
Bisomel
Emcol IM
Isopropyl myristate
Kesscomir
Promyr
Deltyl Extra
Isopropyl tetradecanoate
Sinnoester MIP
Kessco IPM
Wickenol 101
Crodamol IPM
Isomyst
Stepan D 50
Emerest 2314
D 50
D 50 (emollient)
IPM
1-Methylethyl tetradecanoate
Rilanit IPM
IPM-R
Estol IPM 1512
IPM 100
Estol 1512
Tegosoft M
Radia 7190
Pelemol IPM
Nikkol IPM
Stepan IPM
Nikkol IPM 100
Nikkol IPM-EX
Exceparl IPM
Isopropyl myristate-PM
Kollicream IPM
Pastell IP 14
Liponate IPM
Matlube IPM-S
SR Crodamol IPM-LQ
Propan-2-yl tetradecanoate
SR Crodamol IPM-LQ(JP)
Exceparl IPML
Radia 7730
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)OC(C)C
InChI:
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 270.46 g/mol | Legacy Database |
| density | 0.85 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Isopropyl_myristate None | Legacy Database |
| cas-boiling-point | 192.6 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC(C)C)CCCCCCCCCCCCC None | Legacy Database |
| cas-density | 0.8532 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AXISYYRBXTVTFY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 3 °C (approx) None | Legacy Database |
| cas-name | Isopropyl myristate None | Legacy Database |
| wikipedia-name | Isopropyl myristate None | Legacy Database |
| LogP | 5.639100000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 270.45699999999994 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 270.255880328 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 13 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 82.30600000000007 | RDKit |
