Back to Search
Molecule
Gamma-Decalactone
CAS: 706-14-9 · C10H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 706-14-9
- Molecular Formula
- C10H18O2
- Molecular Mass
- 170.25 g/mol
Identifiers
CAS Registry Number
706-14-9
SMILES
CCCCCCC1CCC(=O)O1
InChI Key
IFYYFLINQYPWGJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
Names and Synonyms
- Gamma-Decalactone Common Name
- 2(3H)-Furanone, 5-hexyldihydro- Synonym
- Decanoic acid, 4-hydroxy-, γ-lactone Synonym
- Capric acid, γ-hydroxy-, lactone Synonym
- 5-Hexyldihydro-2(3H)-furanone Synonym
- γ-Decanolactone Synonym
- Decanolactone Synonym
- γ-Decalactone Synonym
- γ-Hexylbutyrolactone Synonym
- 4-Hexyl-γ-butyrolactone Synonym
- 4-Decanolide Synonym
- 4-Hexyl-4-butanolide Synonym
- 4-Hydroxydecanoic acid γ-lactone Synonym
- 2-Decalactone Synonym
- γ-Hexyl-γ-butyrolactone Synonym
- 4-Hydroxydecanoic acid lactone Synonym
- γ-n-Hexyl-γ-butyrolactone Synonym
- γ-Decanolide Synonym
- 5-Hexyltetrahydro-2-furanone Synonym
- (±)-4-n-Hexylbutyrolactone Synonym
- (RS)-γ-Decalactone Synonym
- (±)-γ-Decanolactone Synonym
- (±)-γ-Decalactone Synonym
- NSC 24248 Synonym
- NSC 26510 Synonym
- 5-Hexyloxolan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.25 g/mol | CAS Common Chemistry |
| 170.25199999999998 g/mol | RDKit | |
| 170.252 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9482 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gamma-Decalactone | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(CC1)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IFYYFLINQYPWGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | γ-Decalactone | CAS Common Chemistry |
| gamma-Decalactone | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.6624000000000008 | RDKit |
| 2.6624 | RDKit | |
| Molar Refractivity | 47.87300000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 170.130679816 g/mol | RDKit |
| Boiling Point | 125-127 °C @ 3.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 170.25 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O2.
