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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
Names and Synonyms:
Gamma-Decalactone
2(3H)-Furanone, 5-hexyldihydro-
Decanoic acid, 4-hydroxy-, γ-lactone
Capric acid, γ-hydroxy-, lactone
5-Hexyldihydro-2(3H)-furanone
γ-Decanolactone
Decanolactone
γ-Decalactone
γ-Hexylbutyrolactone
4-Hexyl-γ-butyrolactone
4-Decanolide
4-Hexyl-4-butanolide
4-Hydroxydecanoic acid γ-lactone
2-Decalactone
γ-Hexyl-γ-butyrolactone
4-Hydroxydecanoic acid lactone
γ-n-Hexyl-γ-butyrolactone
γ-Decanolide
5-Hexyltetrahydro-2-furanone
(±)-4-n-Hexylbutyrolactone
(RS)-γ-Decalactone
(±)-γ-Decanolactone
(±)-γ-Decalactone
NSC 24248
NSC 26510
5-Hexyloxolan-2-one
Identifiers:
SMILES:
CCCCCCC1CCC(=O)O1
InChI:
InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
Key Properties
Boiling Point
125-127 °C @ Press: 3.5 Torr
CAS Common Chemistry
Density
0.95 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 | 170.25 g/mol | CAS Common Chemistry |
| 170.25199999999998 g/mol | RDKit | |
| 170.130679816 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9482 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gamma-Decalactone | CAS Common Chemistry |
| Boiling Point | 125-127 °C @ Press: 3.5 Torr | 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 |
| Molar Refractivity | 47.87300000000003 | RDKit |
