pentanedial

• ChemBase ID: 2961
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: O=CCCCC=O
• Canonical SMILES: O=CCCCC=O
• InChI: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
• InChIKey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentanedial
• IUPAC Traditional name: pentanedial; glutaraldehyde
• Synonyms: Pentanedial; Glutaric dialdehyde solution; Silver stain kit component; GLUTERALDEHYDE 25% AQUEOUS SOLUTION; Glutaraldehyde50%; Glutaraldehyde; Glutaric dialdehyde; 1,3-Diformyl propane; Cidex; Glutarol-1,5-pentanedial; 1,5-Pentanedione; GLUTARALDEHYDE 25% AQUEOUS SOLUTION; Pentane-1,5-dial; GLUTARALDEHYDE, 50% AQUEOUS SOLUTION; Pentanedial; Glutardialdehydl; Glutaric acid dialdehydl; Glutaric aldehydl; Glutaric dialdehydl; 1,5-Pentanedial; Glutaraldehyde; Glutaraldehyde solution; 银染试剂盒组分; 戊二醛50%; 戊二醛; 1,5-戊二醛; 五碳双缩醛 溶液; 戊二醛 溶液

Database IDs

• CAS Number: 111-30-8
• EC Number: 203-856-5
• MDL Number: MFCD00007025
• Beilstein Number: 605390
• Merck Index: 144472
• PubChem SID: 24895318; 24895255; 24895313; 24894918; 24860868; 24895235; 160966408; 46505521; 24895250; 24895322; 24863726
• PubChem CID: 3485
• Chemspider ID: 3365
• DrugBank ID: DB03266
• KEGG ID: D01120
• Unique Ingredient Identifier: T3C89M417N
• Wikipedia Title: Glutaraldehyde

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.708456
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2711468
• LogD (pH = 7.4): -0.2711468
• Log P: -0.2711468
• Molar Refractivity: 26.2872 cm^3
• Polarizability: 10.108824 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.93
• LOG S: -0.19
• Solubility (Water): 6.40e+01 g/l

PROPERTIES

Physical Property

• Solubility: Miscible, reacts in water
• Apperance: Clear liquid
• Melting Point: -14 °C; -14°C; 29 - 31°C; -6 °C; ca -21°C
• Boiling Point: 100°C; 101 °C; 187 - 189 °C; 187°C
• Auto Ignition Point: 225 °C (DIN 51794)
• Density: 1.058 g/mL at 20 °C; 1.06 g/mL; 1.061 g/cm^3 at 20 °C; 1.061 g/ml; 1.062; 1.062 g/mL at 25 °C; 1.106 g/mL at 25 °C; 1.123
• Refractive Index: 1.3730; 1.4210; n20/D 1.345; n20/D 1.372; n20/D 1.3755; n20/D 1.417; n20/D 1.42; n20/D 1.421
• Vapor Pressure: 15 mmHg ( 20 °C); 16.4 mmHg ( 20 °C); 22 hPa at 20 °C
• Vapor Density: 1.05 (vs air); 3.4 (air = 1); 3.5 (vs air)
• Hydrophobicity(logP): -0.173

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• RTECS: MA2450000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1760; 2922; 3265; UN2922
• German water hazard class: 2; 3
• Hazard Class: 8
• Packing Group: 2; III
• Australian Hazchem: 2X
• Risk Statements: 20/22-36-37-37/38-39-41-42-42/43-43-50; 20/22-37/38-41-42/43-50; 22-23-34-37-42/43; 22-23-34-42/43-50; 23/25-34-42/43-50; 36/37/38-42/43; R:23/25-34-42/43-50
• Safety Statements: 1/2-26-36/37/39-45-61; 23-26-28-36/37-36/37/39-45-61; 23-26-36/37/39-45-61; 23-26-36/37-45; 26-36/37/39-45-60-61; S:26-45-61-36/37/39
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H331-H314-H317-H334-H335-H400; H301-H331-H317-H335-H336-H334-H314-H400; H302 + H332-H314-H317-H334-H335-H400; H302-H315-H317-H318-H334-H335-H400; H315-H317-H318-H334-H335-H400; H315-H317-H319-H334-H335; H334-H317-H314-H400-H302-H332-H335-H336
• GHS Precautionary statements: P260-P285-P303+P361+P353-P305+P351+P338-P405-P501A; P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-P280-P301 + P310-P305 + P351 + P338-P310; P261-P273-P280-P305 + P351 + P338-P310; P261-P273-P280-P305 + P351 + P338-P342 + P311; P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2; UN 3265 8/PG 2
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: 25% aq. soln.; 50% aq. soln.; 95%
• Concentration: ~25% in H2O (2.6 M); ~50% in H2O; ~50% in H2O (5.6 M); ~8% in H2O; 1.2 % (w/v) glutaraldehyde in H2O; 20.0-26.0%; 25 wt. % in H2O; 25% in H2O; 50 wt. % in H2O; 50% in H2O; 70% in H2O; 8% in H2O
• Grade: for electron microscopy; SAJ first grade; technical
• Packaging: pkg of 10 × 5 mL
• Suitability: suitable for photographic applications
• Impurities: ≤0.05% free carboxylic acid; ≤0.1% free carboxylic acid
• Clinical: for in vitro diagnostic use
• Type: Grade I; Grade II
• Quality Level: IVD; PREMIUM
• Shipped in: dry ice
• Linear Formula: OHC(CH2)3CHO

DETAILS

MP Biomedicals - 02198595

(Pentane-1,5-dial) 50% Aqueous Solution.

MP Biomedicals - 02195199

25% Aqueous Solution
Protein cross-linking agent^1,2
. Also possesses sporicidal activity^3
. This product is also suitable for use as an electron microscopy fixative^4
.

DrugBank - DB03266

• Drug Groups: experimental
• Description: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. [PubChem]

Sigma Aldrich - 49630

Caution
may contain precipitate

Sigma Aldrich - G4004

Application
Contains variable amounts of polymer.1
Packaging
1, 3 kg in glass bottle
25 g in glass bottle

Sigma Aldrich - G6257

Caution
该等级不建议用作电镜固定液。
包装
1 L in glass bottle
10, 100 mL in glass bottle
运输途中未冷藏
Preparation Note
未经过特别纯化。

Sigma Aldrich - G6403

包装
100, 500 mL in glass bottle

Sigma Aldrich - 3802

Application
用作苏丹黑 B 染色步骤 380 中的固定剂。
Other Notes
戊二醛，4%，溶于硼酸盐缓冲液中，pH 7.6。

Sigma Aldrich - 49629

Caution
may contain precipitate

Sigma Aldrich - G5882

Application
Recommended for techniques demanding high purity.

Sigma Aldrich - 340855

Application
Cross-linking agent for gelatin,1,2 poly(vinyl alcohol),3 and polyheptapeptides.4
Packaging
1, 3 L in glass bottle
25 mL in glass bottle

REFERENCES

• J. Mol. Biol., 65: 525, (1972).
• Biochim. Biophys. Acta, 370: 477, (1974).
• Appl. Microbiol., 28: 331, (1974).
• Histochemie, 30: 162, (1972).
• For use in the Robinson synthesis of pseudopelletierine, see Acetone-1,3-dicarboxylic acid, A13742.
• Reaction with (R)-(-)-2-Phenylglycinol, A19030, gives an intermediate for asymmetric synthesis of alkaloids: Org. Synth. Coll., 9, 176 (1998).