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Δ-Decalactone
CAS: 705-86-2 | C10H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
705-86-2
Molecular Formula:
C10H18O2
Molecular Mass:
170.25 g/mol
Names and Synonyms:
Δ-Decalactone
2H-Pyran-2-one, tetrahydro-6-pentyl-
Decanoic acid, 5-hydroxy-, δ-lactone
Capric acid, δ-hydroxy-, lactone
Tetrahydro-6-pentyl-2H-pyran-2-one
δ-Decalactone
5-Decanolide
5-Hydroxydecanoic acid δ-lactone
δ-Amylvalerolactone
5-Pentyl-5-pentanolide
δ-Pentyl-δ-valerolactone
6-Pentyltetrahydro-2H-pyran-2-one
Dihydrojasmin lactone
δ-Decanolactone
(±)-5-Hydroxydecanoic acid lactone
(±)-δ-Decalactone
(RS)-δ-Decalactone
(±)-δ-Decanolactone
δ-Amyl-δ-valerolactone
δ-Decane lactone
Identifiers:
SMILES:
CCCCCC1CCCC(=O)O1
InChI:
InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
Key Properties
Boiling Point
113 °C @ Press: 0.5 Torr
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 | 170.25 g/mol | CAS Common Chemistry |
| 170.25199999999998 g/mol | RDKit | |
| 170.130679816 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/%CE%94-Decalactone | CAS Common Chemistry |
| Boiling Point | 113 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(CCC1)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GHBSPIPJMLAMEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | δ-Decalactone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.6624000000000008 | RDKit |
| Molar Refractivity | 47.87300000000003 | RDKit |
