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Molecule
Isopropyl Myristate
CAS: 110-27-0 · C17H34O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-27-0
- Molecular Formula
- C17H34O2
- Molecular Mass
- 270.46 g/mol
Identifiers
CAS Registry Number
110-27-0
SMILES
CCCCCCCCCCCCCC(=O)OC(C)C
InChI Key
AXISYYRBXTVTFY-UHFFFAOYSA-N
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
Names and Synonyms
- Isopropyl Myristate Synonym
- Tetradecanoic acid, 1-methylethyl ester Synonym
- Myristic acid, isopropyl ester Synonym
- Bisomel Synonym
- Emcol IM Synonym
- Isopropyl myristate Synonym
- Kesscomir Synonym
- Promyr Synonym
- Deltyl Extra Synonym
- Isopropyl tetradecanoate Synonym
- Sinnoester MIP Synonym
- Kessco IPM Synonym
- Wickenol 101 Synonym
- Crodamol IPM Synonym
- Isomyst Synonym
- Stepan D 50 Synonym
- Emerest 2314 Synonym
- D 50 Synonym
- D 50 (emollient) Synonym
- IPM Synonym
- Crodacol IPM Synonym
- 1-Methylethyl tetradecanoate Synonym
- Rilanit IPM Synonym
- IPM-R Synonym
- Estol IPM 1512 Synonym
- IPM 100 Synonym
- Estol 1512 Synonym
- Tegosoft M Synonym
- Radia 7190 Synonym
- Pelemol IPM Synonym
- Estol 1514 Synonym
- NSC 406280 Synonym
- IPM-EX Synonym
- Lexol IPM Synonym
- Nikkol IPM Synonym
- Stepan IPM Synonym
- Nikkol IPM 100 Synonym
- Nikkol IPM-EX Synonym
- Exceparl IPM Synonym
- Isopropyl myristate-PM Synonym
- Kollicream IPM Synonym
- Pastell IP 14 Synonym
- Liponate IPM Synonym
- Matlube IPM-S Synonym
- SR Crodamol IPM-LQ Synonym
- Propan-2-yl tetradecanoate Synonym
- SR Crodamol IPM-LQ(JP) Synonym
- Exceparl IPML Synonym
- Radia 7730 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.46 g/mol | CAS Common Chemistry |
| 270.45699999999994 g/mol | RDKit | |
| 270.457 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8532 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_myristate | 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 |
| 5.6391 | RDKit | |
| 6.0 | chempirical lib | |
| Molar Refractivity | 82.30600000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9412 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 270.255880328 g/mol | RDKit |
| Boiling Point | 192.6 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 270.46 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H34O2.
