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1-Monolaurin
CAS: 142-18-7 | C15H30O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-18-7
Molecular Formula:
C15H30O4
Molecular Mass:
274.40 g/mol
Names and Synonyms:
1-Monolaurin
Dodecanoic acid, 2,3-dihydroxypropyl ester
(±)-2,3-Dihydroxypropyl dodecanoate
3-Dodecanoyloxy-1,2-propanediol
NSC 698570
Glycerol 1-monododecanoate
2,3-Dihydroxypropyl dodecanoate
Laurin, 1-mono-
Glycerol 1-monolaurate
Glyceryl monolaurate
α-Monolaurin
1-Monolaurin
Glycerol α-monolaurate
Lauric acid 1-monoglyceride
Glycerin 1-monolaurate
Glyceryl monododecanoate
1-Glyceryl laurate
Lauric acid α-monoglyceride
Glyceryl laurate
Lauricidin
Dodecanoic acid α-monoglyceride
Glycerol 1-laurate
1-Monododecanoylglycerol
(±)-Glyceryl 1-monododecanoate
1-Monolauroyl-rac-glycerol
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)OCC(O)CO
InChI:
InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
Key Properties
Melting Point
52 °C
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 | 274.40 g/mol | CAS Common Chemistry |
| 274.40099999999995 g/mol | RDKit | |
| 274.21440944 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)CO)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ARIWANIATODDMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | 1-Monolaurin | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 2.8037000000000014 | RDKit |
| Molar Refractivity | 75.89560000000004 | RDKit |
