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Gamma-Nonalactone
CAS: 104-61-0 | C9H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104-61-0
Molecular Formula:
C9H16O2
Molecular Mass:
156.23 g/mol
Names and Synonyms:
Gamma-Nonalactone
2(3H)-Furanone, dihydro-5-pentyl-
Nonanoic acid, 4-hydroxy-, γ-lactone
Dihydro-5-pentyl-2(3H)-furanone
γ-n-Amylbutyrolactone
γ-Amyl-γ-butyrolactone
γ-Nonalactone
Prunolide
γ-Nonanolide
γ-Amylbutyrolactone
4-Nonanolide
4-Hydroxynonanoic acid lactone
γ-Nonanolactone
4-Pentyl-butanolide
Nonan-1,4-olide
γ-Pentyl-γ-butyrolactone
Cocos aldehyde
Apricolin
Aldehyde C18
5-Pentyldihydro-2(3H)-furanone
(±)-4-n-Pentylbutyrolactone
(RS)-γ-Nonalactone
(±)-γ-Nonalactone
NSC 24253
NSC 46099
4-Pentylbutan-4-olide
Nonyl lactone
Identifiers:
SMILES:
CCCCCC1CCC(=O)O1
InChI:
InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
Key Properties
Boiling Point
243 °C
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 | 156.23 g/mol | CAS Common Chemistry |
| 156.225 g/mol | RDKit | |
| 156.115029752 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9513 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gamma-Nonalactone | CAS Common Chemistry |
| Boiling Point | 243 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(CC1)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OALYTRUKMRCXNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-γ-Nonalactone | CAS Common Chemistry |
| gamma-Nonalactone | CAS Common Chemistry | |
| Heavy Atom Count | 11 | 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 | 2.2723000000000004 | RDKit |
| Molar Refractivity | 43.256000000000014 | RDKit |
