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Isopropyl Myristate
CAS: 110-27-0 | C17H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-27-0
Molecular Formula:
C17H34O2
Molecular Mass:
270.46 g/mol
Names and Synonyms:
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
Crodacol IPM
1-Methylethyl tetradecanoate
Rilanit IPM
IPM-R
Estol IPM 1512
IPM 100
Estol 1512
Tegosoft M
Radia 7190
Pelemol IPM
Estol 1514
NSC 406280
IPM-EX
Lexol 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
Key Properties
Boiling Point
192.6 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
3 °C (approx)
CAS Common Chemistry
Density
0.85 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 | 270.46 g/mol | CAS Common Chemistry |
| 270.45699999999994 g/mol | RDKit | |
| 270.255880328 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8532 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_myristate | CAS Common Chemistry |
| Boiling Point | 192.6 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)CCCCCCCCCCCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=AXISYYRBXTVTFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 3 °C (approx) | CAS Common Chemistry |
| Name | Isopropyl myristate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 5.639100000000005 | RDKit |
| Molar Refractivity | 82.30600000000007 | RDKit |
