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Enzacamene
CAS: 36861-47-9 | C18H22O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
36861-47-9
Molecular Formula:
C18H22O
Molecular Mass:
254.37 g/mol
Names and Synonyms:
Enzacamene
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-, (±)-
1,7,7-Trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one
3-(4-Methylbenzylidene)-DL-camphor
3-(p-Methylbenzylidene)-DL-camphor
Eusolex 6300
3-(4-Methylbenzylidene)camphor
3-(p-Methylbenzylidene)camphor
p-Methylbenzylidenecamphor
1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one
4-Methylbenzylidenecamphor
3-(4′-Methylbenzylidene)camphor
Parsol 5000
3-(4-Methylbenzylidene)bornan-2-one
Enzacamene
Neo Heliopan MBC
Uvinul MBC 95
Methylbenzylidenecamphor
Parsol 500
3-(4-Methylbenzylidene)-dl-camphor
4-MBC
Identifiers:
SMILES:
Cc1ccc(C=C2C(=O)C3(C)CCC2C3(C)C)cc1
InChI:
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3
Key Properties
Boiling Point
198-200 °C
CAS Common Chemistry
Melting Point
-25 °C
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 | 254.37 g/mol | CAS Common Chemistry |
| 254.37299999999996 g/mol | RDKit | |
| 254.167065324 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Enzacamene | CAS Common Chemistry |
| Boiling Point | 198-200 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C(=CC2=CC=C(C=C2)C)C3CCC1(C)C3(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HEOCBCNFKCOKBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25 °C | CAS Common Chemistry |
| Name | 3-(4′-Methylbenzylidene)camphor | CAS Common Chemistry |
| Enzacamene | CAS Common Chemistry | |
| Heavy Atom Count | 19 | 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 | 4.403620000000004 | RDKit |
| Molar Refractivity | 78.77500000000005 | RDKit |
