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Glutaraldehyde
CAS: 111-30-8 | C5H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-30-8
Molecular Formula:
C5H8O2
Molecular Weight:
100.11699999999999 g/mol
Names and Synonyms:
Glutaraldehyde
Bactron K 31
Sterihyde
Glutaclean
Relugan GTW
Ucarcide 250
Cidex 7
Sporicidin
Relugan GT 50
Relugan GT
Glutarex 28
Aldesan
Hospex
Sonacide
1,5-Pentanedial
Glutaral
Glutaric acid dialdehyde
Glutaric dialdehyde
Glutardialdehyde
Glutaraldehyde
Pentanedial
NovaCide 1125
G 6257
GT 50
Ucarcide 250 Antimicrobial
Ucarcide 50 Antimicrobial
Ucarcide 50
Odycide B 310
Protectol GA 50
Ukatan 24
Formula H
KS 02
Eimaldehyde
T 352
Bioban Eth 1000
5-Oxopentanal
Maxicide Plus
Metricide Plus
Biocide G 30
Permachem OB 5
Kcide 850
Sterisol S
Venno-FF super
Aqucar 550
NSC 13392
Sellatan CF-N
Glu-Cid
Surcide G 50
Piror 850
Wavicide 01
Cidexplus
Cidex
Cleancide 275
Diglutaric aldehyde
Floperm 665X1
Panavirocide
Banicide
Glutohyde
Biomate 743
Tret-O-Lite XC 102
Cidex-Dialyzer
Sterihyde L
Identifiers:
SMILES:
O=CCCCC=O
InChI:
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 100.11699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.052429496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5545 | RDKit |
| molecular_mass | 100.12 g/mol | Legacy Database |
| density | 0.72 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glutaraldehyde None | Legacy Database |
| cas-boiling-point | 101 °C None | Legacy Database |
| cas-canonical-smile | O=CCCCC=O None | Legacy Database |
| cas-density | 0.72 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SXRSQZLOMIGNAQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -6 °C None | Legacy Database |
| cas-name | Glutaraldehyde None | Legacy Database |
| wikipedia-name | Glutaraldehyde None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.97899999999999 | RDKit |
