2-Butyl-2-ethyl-1,3-propanediol
Product Information
Molecular Formula
C9H20O2
Molecular Weight
160.25
Description
2-Butyl-2-ethyl-1,3-propanediol (CAS# 115-84-4) is a compound used as a biocidal substance for prevention of bacterial or fungal growth in medical, cosmetic, cleaning, and food products.
Synonyms
2-butyl-2-ethylpropane-1,3-diol
IUPAC Name
2-butyl-2-ethylpropane-1,3-diol
SMILES
CCCCC(CC)(CO)CO
InChI
InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChI Key
DSKYSDCYIODJPC-UHFFFAOYSA-N
Boiling Point
178 °C / 50 mmHg
Melting Point
43 °C
Flash Point
137°C
Purity
99 %
Density
0.93 g/cm3
Solubility
water, 1042 mg/L @ 25 °C (est)
Appearance
White to almost white powder to crystal
Storage
Sealed in dry, Room Temperature
Refractive Index
1.455
LogP
1.55760
Safety Information
Hazards
H319
Precautionary Statement
P264, P280, P305+P351+P338, and P337+P313
Signal Word
Warning
Computed Properties
XLogP3
1.8
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
87.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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 |
|---|---|---|
| CN-114133507-A | One-pot preparation method of bio-based degradable polyurethane | 2021-12-29 |
| CN-114106670-A | Electromagnetic shielding powder coating and preparation method thereof | 2021-12-23 |
| CN-114163620-A | Water-stain-resistant whitening-resistant polyester resin and preparation method and application thereof | 2021-12-23 |
| JP-2022027992-A | Wiring board and its manufacturing method | 2021-12-20 |
| CN-114058008-A | Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions | 2021-12-13 |
| CN-114058010-A | Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114133538-A | Special polyester resin for anti-sticking hanger powder coating and preparation method thereof | 2021-12-13 |
| CN-114133559-A | Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114133549-A | Fully biodegradable branched aliphatic polycarbonate and preparation method and application thereof | 2021-12-10 |
| CN-114057956-A | Water-reducing slump-retaining comprehensive polycarboxylic acid water reducer and preparation method thereof | 2021-12-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 12199599 | 2002-08-15 | Characterization of polyesters prepared from three different phthalic acid isomers by CID-ESI-FT-ICR and PSD-MALDI-TOF mass spectrometry | Analytical chemistry |
