2,4-Diethyl-1,5-pentanediol
Product Information
Molecular Formula
C9H20O2
Molecular Weight
160.25
Description
2,4-Diethyl-1,5-pentanediol is a biomedicinal compound chiefly used as a synthesis intermediate for pharmaceuticals. Its primary utilization is in the production of drugs for combating various cardiovascular diseases and certain types of cancer.
Synonyms
2,4-Diethyl-1,5-pentanediol; 3,5-bis-(Hydroxymethyl)heptane
IUPAC Name
2,4-diethylpentane-1,5-diol
SMILES
CCC(CC(CC)CO)CO
InChI
InChI=1S/C9H20O2/c1-3-8(6-10)5-9(4-2)7-11/h8-11H,3-7H2,1-2H3
InChI Key
OJRJDENLRJHEJO-UHFFFAOYSA-N
Boiling Point
256.9°C at 760mmHg
Flash Point
143 °C
Purity
95%
Density
0,95
Appearance
Colorless to Almost colorless clear liquid
Safety Information
Hazards
H318:
Causes serious eye damage.
Causes serious eye damage.
Precautionary Statement
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
Computed Properties
XLogP3
1.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
160.146329876 g/mol
Monoisotopic Mass
160.146329876 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
73.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-11028217-B1 | Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols | 2020-03-13 |
| US-10767004-B1 | Tricyclodecane dimethanol composition and uses thereof | 2020-01-13 |
| WO-2021125210-A1 | Dispersion liquid, liquid composition, and manufacturing methods therefor | 2019-12-20 |
| EP-3838891-A1 | Aldimines and uses thereof | 2019-12-19 |
| WO-2021122594-A1 | Aldimines and uses thereof | 2019-12-19 |
| WO-2021125024-A1 | Curable resin composition, cured object, and three-dimensional object | 2019-12-19 |
| WO-2021117764-A1 | Compound, method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device | 2019-12-11 |
| WO-2021112202-A1 | Multilayer film, laminate, and airbag | 2019-12-06 |
| WO-2021111298-A1 | Decorative film and decorative article using same, and surface protective composition | 2019-12-05 |
| WO-2021111956-A1 | Pressure-sensitive adhesive composition and pressure-sensitive adhesive sheet | 2019-12-03 |
