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Mannitol
CAS: 69-65-8 | C6H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-65-8
Molecular Formula:
C6H14O6
Molecular Mass:
182.17 g/mol
Names and Synonyms:
Mannitol
D-Mannitol
Mannitol, D-
Cordycepic acid
Mannite
Osmitrol
Mannitol
D-(-)-Mannitol
Manna sugar
Mannidex
Diosmol
Osmosal
Mannit
Isotol
Mannigen
Mannistol
Maniton S
Mannitolum
Mannogem 2080
Marine Crystal
Manicol
Resectisol
Mannit P
E 421
Mannogem EZ
Cerestar 16700
Pearlitol 100SD
Mannit 60
D-Mannit
Pearlitol 200SD
Parteck M 200
Mannit S
Pearlitol 50C
Pearlitol SD 100
Mannidex 16700
Parteck M 100
Perlitol SD 200
Nonpareil 108(200)
Partek M
Pearlitol
Nonpareil 108
Pearlitol 160C
Pearlitol 25C
Parteck M 300
Perteck M
Parteck Delta M
Mannitol P 60
Mannitol 35
Mannitol 60
Brightmoon
Orocell 200
Parteck 300
Bronchitol
Pearlitol 2005D
Pearlitol 100
PharmMannidex
PharmMannidex 16701
Mannitol SD 200
Granutol R
M 100
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
Mannit Q
Granutol S
Granutol F
Granitol S
Mannitol 300DC
Identifiers:
SMILES:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Key Properties
Boiling Point
290-295 °C @ Press: 3.5 Torr
CAS Common Chemistry
Melting Point
166-168 °C
CAS Common Chemistry
Density
1.52 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 | 182.17 g/mol | CAS Common Chemistry |
| 182.172 g/mol | RDKit | |
| 182.079038168 g/mol | RDKit | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 290-295 °C @ Press: 3.5 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FBPFZTCFMRRESA-KVTDHHQDSA-N | CAS Common Chemistry |
| Melting Point | 166-168 °C | CAS Common Chemistry |
| Name | Mannitol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 121.38000000000001 Ų | RDKit |
| LogP | -3.5854000000000004 | RDKit |
| Molar Refractivity | 38.198800000000006 | RDKit |
