Back to Search
6-Acetyltetralin
CAS: 774-55-0 | C12H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
774-55-0
Molecular Formula:
C12H14O
Molecular Mass:
174.24 g/mol
Names and Synonyms:
6-Acetyltetralin
Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-
2′-Acetonaphthone, 5′,6′,7′,8′-tetrahydro-
1-(5,6,7,8-Tetrahydro-2-naphthalenyl)ethanone
6-Acetyl-1,2,3,4-tetrahydronaphthalene
5,6,7,8-Tetrahydronaphth-2-yl methyl ketone
6-Acetyltetralin
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethanone
NSC 5179
2-Acetyl-5,6,7,8-tetrahydronaphthalene
Floranton
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethan-1-one
(1,2,3,4-Tetrahydronaphthalen-6-yl)ethan-1-one
Identifiers:
SMILES:
CC(=O)c1ccc2c(c1)CCCC2
InChI:
InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
Key Properties
Boiling Point
167-169 °C @ Press: 8 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 | 174.24 g/mol | CAS Common Chemistry |
| 174.2429999999999 g/mol | RDKit | |
| 174.104465068 g/mol | RDKit | |
| Boiling Point | 167-169 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C2C(=C1)CCCC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VEPUKHYQNXSSKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Acetyltetralin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.7680000000000016 | RDKit |
| Molar Refractivity | 53.08850000000003 | RDKit |
