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Bio Clear
CAS: 5989-27-5 | C10H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5989-27-5
Molecular Formula:
C10H16
Molecular Weight:
136.23799999999997 g/mol
Names and Synonyms:
Bio Clear
Synonym
Clearene
Synonym
(+)-Limonene
Synonym
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4R)-
Synonym
p-Mentha-1,8-diene, (R)-(+)-
Synonym
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-
Synonym
(4R)-1-Methyl-4-(1-methylethenyl)cyclohexene
Synonym
(+)-p-Mentha-1,8-diene
Synonym
(+)-Limonene
Synonym
Carvene
Synonym
d-Limonene
Synonym
Limonene, (+)-
Synonym
D-(+)-Limonene
Synonym
(+)-(4R)-Limonene
Synonym
Refchole
Synonym
D-Limonene
Synonym
(+)-Dipentene
Synonym
d-(+)-Limonene
Synonym
(R)-p-Mentha-1,8-diene
Synonym
(+)-α-Limonene
Synonym
(4R)-(+)-Limonene
Synonym
(R)-(+)-p-Mentha-1,8-diene
Synonym
(R)-4-Isopropenyl-1-methyl-1-cyclohexene
Synonym
EC 7
Synonym
Glidesafe
Synonym
Biogenic SE 374
Synonym
Glidsafe
Synonym
(+)-(R)-Limonene
Synonym
(R)-(+)-Limonene
Synonym
(4R)-Limonene
Synonym
(R)-Limonene
Synonym
NK 1100
Synonym
Fruits Dry
Synonym
1-Methyl-4-prop-1-en-2-yl-cyclohexene
Synonym
Woody River 8
Synonym
HistoSolve X
Synonym
Master Clear
Synonym
Safsolv
Synonym
Histo-Clear
Synonym
(R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Synonym
IVOD
Synonym
R-Limonene
Synonym
Alda 341
Synonym
(4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Synonym
HB 09
Synonym
Identifiers:
SMILES:
C=C(C)[C@H]1CC=C(C)CC1
InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.24 g/mol | Legacy Database |
| density | 0.84 g/cm³ | Legacy Database |
| cas-boiling-point | 175.5-176 °C @ Press: 763 Torr None | Legacy Database |
| cas-canonical-smile | C=C(C)C1CC=C(C)CC1 None | Legacy Database |
| cas-density | 0.8402 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=XMGQYMWWDOXHJM-JTQLQIEISA-N None | Legacy Database |
| cas-melting-point | -74.35 °C None | Legacy Database |
| cas-name | (+)-Limonene None | Legacy Database |
| LogP | 3.308900000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.23799999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.125200512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.91200000000003 | RDKit |