Back to Search
Molecule
3-Butoxy-1-Propanol
CAS: 10215-33-5 · C7H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10215-33-5
- Molecular Formula
- C7H16O2
- Molecular Mass
- 132.20 g/mol
Identifiers
CAS Registry Number
10215-33-5
SMILES
CCCCOCCCO
InChI Key
NTKBNCABAMQDIG-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3
Names and Synonyms
- 3-Butoxy-1-Propanol Synonym
- 1-Propanol, 3-butoxy- Synonym
- 3-Butoxy-1-propanol Synonym
- 3-Butoxypropanol Synonym
- 3-n-Butoxy-1-propanol Synonym
- NSC 221254 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.20 g/mol | CAS Common Chemistry |
| 132.203 g/mol | RDKit | |
| Canonical SMILES | OCCCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NTKBNCABAMQDIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Butoxy-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.1855 | RDKit |
| Molar Refractivity | 37.42979999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.115029752 g/mol | RDKit |
| Boiling Point | 43-45 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 132.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O2.
