phenol

• ChemBase ID: 2952
• Molecular Formular: C6H6O
• Molecular Mass: 94.11124
• Monoisotopic Mass: 94.04186481
• SMILES: Oc1ccccc1
• Canonical SMILES: Oc1ccccc1
• InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
• InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenol
• IUPAC Traditional name: phenol
• Synonyms: Benzenol; Hydrozybenzene; NSC 36808; Phenol, Glass Distilled Under Argon; Phenol, ACS; Carbolic acid; benzenod; phenylic acid; hydroxybenzend; Hydroxybenzene; PHENOL, ULTRA PURE; Phenol; Phenol stock solution; Phenol solution; Pandy′s reagent; Oxybenzene; Phenic Acid; Phenyl Hydrate; PHENOL ACS REAGENT GRADE; Phenol solution; Phenol; Liquified Phenol; Phenol, detached crystals; 苯酚, ACS; Phenol stock solution; Pandy′s reagent; 苯酚 溶液; 羟基苯; 苯酚; 苯酚 溶液; 液状苯酚; 苯酚, 分离晶体

Database IDs

• CAS Number: 108-95-2
• EC Number: 200-835-2; 203-632-7; 200-659-6
• MDL Number: MFCD00002143
• Beilstein Number: 6428463; 969616
• Merck Index: 147241
• PubChem SID: 24849858; 24901564; 24898145; 24898669; 24887209; 24851141; 24898550; 24898492; 24862085; 24898435; 46508193; 24887208; 24864936; 24870066; 24899028; 24872221; 24860293; 160966399; 24872095; 24849857; 24854550; 24859715; 24874429; 24849856
• PubChem CID: 996
• CHEBI ID: 15882
• ATC CODE: N01BX03; R02AA19; C05BB05; D08AE03
• CHEMBL: 14060
• Chemspider ID: 971
• DrugBank ID: DB03255
• FEMA ID: 3223
• KEGG ID: D06536
• Unique Ingredient Identifier: 339NCG44TV
• Wikipedia Title: Phenol
• Council of Europe Number: 11811
• Flavis Number: 4.041

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.01615
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6696674
• LogD (pH = 7.4): 1.6686368
• Log P: 1.6696805
• Molar Refractivity: 28.0389 cm^3
• Polarizability: 10.938309 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.39
• LOG S: -0.31
• Solubility (Water): 4.66e+01 g/l

PROPERTIES

Physical Property

• Solubility: 8.3 g/100 mL (20 °C) in water; H2O: soluble0.5 M at 20 °C, clear, colorless
• Apperance: Crystalline; crystalline (detached); crystalline (loose); faintly yellow cast in container; faintly yellow liquid; liquid; loose crystals; Solid melt; Transparent crystalline solid
• Melting Point: 39-41 °C; 39-42 °C; 40.5°C; 40.5°C; 40.5-41.5 °C; 40.9 °C; 40-42 °C; 40-42 °C(lit.); 40-43°C
• Boiling Point: 180-181 °C; 181 °C; 181.7°C; 181.8 °C at 1013 hPa; 181°C; 182 °C(lit.)
• Flash Point: 174 °F; 174.2 °F; 2 °C; 35.6 °F; 79 °C (closed cup); 79 °C; 79°C (174.2°F); 79°C(175°F)
• Auto Ignition Point: 1319 °F; 715 °C
• Density: 1.07 g/cm^3; 1.07 g/mL at 25 °C(lit.); 1.071; 1.071 g/cm^3 at 25 °C; 1.071 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48; n20/D 1.527; n20/D 1.53
• Vapor Pressure: .48 hPa at 20 °C; 0.09 psi ( 55 °C); 0.36 mmHg ( 20 °C)
• Vapor Density: 3.24 (vs air)
• Partition Coefficient: Log P(oct) = 1.47
• Absorption Wavelength: 270.75 nm
• pKa: 9.95 (in water),; 29.1 (in acetonitrile)
• Dipole Moment: 1.7 D
• Odor: Sweet and tarry
• Transition Temperature: freezing point ≥40.5 °C; solidification point ≥40 °C; solidification point ≥40.5 °C
• pH: ~7.8(aqueous phase); 3.0-6.0 (25 °C, 0.5 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Air & Light Sensitive; Air Sensitive; Hygroscopic
• RTECS: SJ3325000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Flammable (F); Muta. Cat. 3; Toxic (T); Toxic (T); Harmful (Xn)
• UN Number: 1230; 1648; 1671; 2821; UN1671
• German water hazard class: 1; 2
• Hazard Class: 3; 6.1
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 11-20/21/22-36; 11-23/24/25-39/23/24/25; 23/24/25-34-48/20/21/22-68; 23/24/25-39/23/24/25; R:24/25-34; R23/R24/R25-R34-R48/R20/R21/R22-R68
• Safety Statements: 16-36/37; 24/25-26-28-36/37/39-45; 26-36/37/39-45; 36/37-45; 7-16-36/37-45; S:28-45; S1/2-S24/S25-S26-S28-S36/S37/S39-S45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  2

  3

  COR
• Explode Limits: 8.6 %
• GHS Hazard statements: 301, 311, 314, 331, 341, 373; H225-H302-H312-H319-H332; H301 + H311 + H331-H314-H341-H373; H301-H311-H314-H330-H341-H373; H301-H311-H314-H331-H341-H373; H301-H311-H331-H314-H341-H373; H301-H311-H331-H370
• GHS Precautionary statements: 261, 280, 301+310, 305+351+338, 310; P210-P280-P305 + P351 + P338; P260-P280-P284-P301 + P310-P305 + P351 + P338-P310; P260-P280-P301 + P310-P311; P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1648 3/PG 2; UN 1671 6.1/PG 2; UN 2821 6.1/PG 2
• Storage Temperature: 2-8°C; room temp

Pharmacology Properties

• Gene Information: human ... GABRA1(2554)

Product Information

• Purity: ≥99%; ~73% (T); ~90% (T); ~99%; ≥89.0%; ≥96.0% (calc. on dry substance, T); ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); ≥99.7% (GC); 88.0-92.0% (alkalimetric); 95+%; 99.0-100.5%; 99.0-100.5% (calc. on H2O free substance); 99.5%, unstab.; 99.5-100.5% (GC); 99+%; 99+%, stab.
• Concentration: 100 mg/dL; 100 ng/μL in acetonitrile; 500 μg/mL in methanol; 5000 μg/mL in methanol; in H2O
• Grade: ACS; ACS reagent; analytical standard; for molecular biology; Halal; JIS special grade; Kosher; NI; PESTANAL®, analytical standard; puriss.; puriss. p.a.; purum; REAGENT; reagent grade; ReagentPlus®; SAJ first grade; standard
• Packaging: ampule of 1 mL; vial of 1000 mg
• Suitability: complies for identity (USP); corresponds for identity; in accordance for appearance of solution; meets USP testing specifications; suitable for 2001 per NIOSH; suitable for 32 per OSHA; suitable for RNA purification; suitable for TO-8 per EPA - TO
• Ignition Residue: ≤0.05%
• Evaporation Residue: ≤0.01%; ≤0.05%
• Description: does not contain preservative
• Impurities: ~10% water; ~10%(water); ≤0.0003% heavy metals (as Pb); ≤0.001% heavy metals (as Pb); ≤0.01% non-volatile matter; ≤0.03% non-volatile matter; ≤0.05% m-cresol (GC); ≤0.05% non-volatile matter; ≤0.05% o-cresol (GC); ≤0.05% p-cresol (GC); ≤0.2% water; ≤0.2% water (Karl Fischer); ≤0.3% water (Karl Fischer); ≤0.5% water; ≤2 ppm Mg; ≤5 ppm Pb; 8-11% water (Karl Fischer); acidic reac. Impurities, in accordance; DNases, none detected; insoluble matter, passes filter test; organic volatile impurities, in accordance (GC); phosphatases, none detected; proteases, none detected; residual solvents, complies; RNases, none detected
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤0.0005%; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Cd: ≤0.0005%; Cd: ≤5 mg/kg; Co: ≤0.0005%; Co: ≤5 mg/kg; Cr: ≤0.0005%; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤0.0005%; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤0.0005%; Mn: ≤5 mg/kg; Mo: ≤0.0005%; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; Ni: ≤0.0005%; Ni: ≤5 mg/kg; Pb: ≤0.0005%; Pb: ≤5 mg/kg; Sr: ≤0.0005%; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤5 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Contains: ~0.1% 8-hydroxyquinoline as preservative; ~0.15% H3PO2 as antioxidant; ~0.15% hypophosphorous acid as stabilizer; 0.15% H3PO2 as stabilizer; hypophosphorous as stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: redistillation
• Quality: meets analytical specification of Ph. Eur., BP, USP; TE-saturated
• Ash: ≤0.05%
• Feature: standard type calibration
• Clarity of solution: passes test
• Product Line: BioUltra
• abs.: absorption0.5M/294 nm, H2O cut-off
• Linear Formula: C6H5OH
• Empirical Formula (Hill Notation): C6H6O

DETAILS

MP Biomedicals - 02194011

Molecular Biology Reagent Purity: 99+% Melting Point: 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 04800673

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 04800672

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 02191423

ACS Reagent Grade
Water: <0.5%

MP Biomedicals - 04818048

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

DrugBank - DB03255

• Drug Groups: experimental
• Description: An antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. (From Martindale, The Extra Pharmacopoeia, 30th ed, p801)
• External Links: Drugs.com

Sigma Aldrich - P4682

包装
100, 400 mL in glass bottle

Sigma Aldrich - 46344

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 52463

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 77608

Other Notes
For the preparation of DNA 1; Large- and small-scale phenol extractions2

Sigma Aldrich - 35952

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - P3653

包装
500 g in glass bottle

Sigma Aldrich - W322318

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in poly drum

Sigma Aldrich - 109843

Packaging
500 g in glass bottle

Sigma Aldrich - 77607

Caution
according to temperature, a small quantity of an overlaid aqueous phase may form
General description
saturated with 10 mM TRIS buffer pH 8.0 and 1 mM EDTA
Other Notes
RNA fingerprinting - preparation of the E. coli tRNA carrier1

Sigma Aldrich - P4557

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
For DNA extractions requiring higher pH, includes a separate bottle of equilibration buffer to adjust the phenol phase to pH 7.9 ± 0.2.
包装
100, 400 mL in glass bottle

Sigma Aldrich - 242322

Packaging
1.5 kg in glass bottle
25, 500 g in glass bottle

Sigma Aldrich - 328111

Packaging
100, 500 g in glass bottle

Sigma Aldrich - P1037

包装
在氮气下再次蒸馏并用棕色瓶包装。

Sigma Aldrich - 16018

Packaging
bottled under inert gas

Sigma Aldrich - 24-1405

Suitability
for biological purposes

Sigma Aldrich - 24-1420

Suitability
nucleic acid purification

Sigma Aldrich - 24-1410

Suitability
amino acid analysis

Sigma Aldrich - 185450

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 48688

Application
Phenol

Sigma Aldrich - P9346

包装
100, 500 mL in glass bottle

Toronto Research Chemicals - P318000

Purified for molecular genetics applications.