acetic acid

• ChemBase ID: 2865
• Molecular Formular: C2H4O2
• Molecular Mass: 60.05196
• Monoisotopic Mass: 60.02112937
• SMILES: CC(=O)O
• Canonical SMILES: CC(=O)O
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetic acid
• IUPAC Systematic name: Ethanoic acid
• IUPAC Traditional name: acetic acid
• Brand Name: Volsol; Acetasol
• Synonyms: Acetic acid; Acetic acid solution; Acetic acid solution; Acetate standard for IC; Acidum aceticum glaciale; Acetic acid glacial; Acetic acid, 1.0N Standardized Solution; Acetic acid, glacial, ACS; Acetic acid, Environmental Grade; Acetic acid, 0.1N Standardized Solution; Acetic acid, Environmental Grade Plus; Acetic acid, Acculute Standard Volumetric Solution, Final Concentration 1.0N; Acetic acid, glacial; ACETIC ACID GLACIAL, HPLC GRADE; ACETIC ACID, GLACIAL ACS REAGENT GRADE; ACETIC ACID, GLACIAL; Glacial acetic acid; Acetic acid; Methanecarboxylic acid; Acetic acid; Glacial acetic acid; Acetic acid Supplement; Bifido Selective Supplement B; Acetic acid concentrate; 乙酸 溶液; 乙酸 溶液; 乙酸根离子色谱标准液; 冰乙酸; 乙酸, 1.0N 标准溶液; 冰乙酸,ACS; 乙酸, 环境级; 乙酸, 0.1N 标准溶液; 乙酸, 环境级加; 乙酸, 可稀释标准标定液, 最终浓度 1.0N; 冰乙酸; 乙酸; 乙酸; 冰醋酸; 乙酸添加剂; Bifido 选择性添加剂 B

Database IDs

• CAS Number: 64-19-7
• EC Number: 231-791-2; 200-580-7
• MDL Number: MFCD00036152
• Beilstein Number: 506007
• Merck Index: 1455
• PubChem SID: 24856457; 24872707; 24865045; 24865112; 24860709; 24863722; 24878187; 24860024; 24856462; 24863746; 24869289; 24869326; 24870579; 24900793; 24854588; 160966312; 24869296; 24846103; 24863747; 24860710; 24891411; 24860577; 24900794; 24859247; 24869290; 24848291; 24886025; 24861079; 24860020; 24859135; 24891075; 24891389; 24869291
• PubChem CID: 176
• CHEBI ID: 15366
• ATC CODE: G01AD02; S02AA10
• CHEMBL: 539
• Chemspider ID: 171
• DrugBank ID: DB03166
• FEMA ID: 2006
• Gmelin ID: 1380
• IUPHAR ligand ID: 1058
• KEGG ID: D00010
• MeSH Name: Acetic+acid
• Unique Ingredient Identifier: Q40Q9N063P
• Wikipedia Title: Acetic_acid
• Council of Europe Number: 0002
• Flavis Number: 8.002
• E Number: E260

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 12.6437 cm^3
• Polarizability: 5.030792 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 4.54344

ALOGPS 2.1

• Log P: -0.12
• LOG S: 0.73
• Solubility (Water): 3.23e+02 g/l

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: APHA: ≤10; APHA: ≤5; Colourless liquid; Liquid
• Melting Point: 15.85 - 16.85°C (289 - 290 K); 16 °C; 16.2 °C(lit.); 16.6°C
• Boiling Point: 116 - 118 °C at 1013 hPa; 117.85 - 118.85°C (391 - 392 K); 117-118 °C; 117-118 °C(lit.); 118.1°C
• Flash Point: 104 °F; 40 °C (closed cup and DIN 51755 ASTM D 56-70); 40 °C; 40°C(104°F)
• Auto Ignition Point: 400 °C; 485 °C (DIN 51794, ASTM D 2155-66); 800 °F
• Density: 1.01 g/mL at 25 °C; 1.049; 1.049 g cm^-3; 1.049 g/cm^3 at 20 °C; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.3721; n20/D 1.371(lit.); n20/D 1.372
• Vapor Pressure: 11.4 mm Hg at 20 °C; 11.4 mmHg ( 20 °C)
• Vapor Density: 2.07 (vs air); 2.1 (air = 1)
• Partition Coefficient: -0.322
• Absorption Wavelength: λ: 260 nm Amax: ≤0.1; λ: 260 nm Amax: 0.05; λ: 270 nm Amax: 0.02; λ: 280 nm Amax: ≤0.02; λ: 300 nm Amax: 0.01; λ: 500 nm Amax: 0.01
• pKa: 4.76
• pKb: 9.198
• Dipole Moment: 1.74 D
• Viscosity: 1.22 mPa s
• Heat Capacity: 123.1 J K^-1 mol^-1
• Std enthalpy of combustion: -875.50--874.82 kJ mol^-1
• Std enthalpy of formation: -483.88--483.16 kJ mol^-1
• Std molar entropy: 158.0 J K^-1 mol^-1
• Transition Temperature: freezing point ≥15.6 °C; freezing point ≥16.3 °C; freezing point ≥16.35 °C; solidification point ≥16 °C; solidification point ≥16.3 °C; transition temp ≥15.6 °C (Congealing temperature)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AF1225000
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2789; 2790; UN2789; UN2790
• German water hazard class: 1; nwg
• Hazard Class: 3; 8
• Packing Group: 2; 3; II; III
• Australian Hazchem: 2P
• Risk Statements: 10-34; 10-35; 34; 36/38; R:10-35; R10, R35
• Safety Statements: 23-26-45; 26; 26-36/37/39-45; S:16-23-26-45; S1/2, S23, S26, S45
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 607-002-00-6
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  2

  3

  0
• LD50: 3.31 g kg^-1, oral (rat)
• Explode Limits: 16 %, 92 °F; 4 %, 59 °F
• GHS Hazard statements: 226, 314; H226-H314; H314-H318-H226-H303; H314-H319-H226; H315-H319
• GHS Precautionary statements: 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, Gloves, Goggles
• RID/ADR: UN 2789 8/PG 2; UN 2790 8/PG 2; UN 2790 8/PG 3
• Storage Temperature: room temp
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.814); FDA 21 CFR (173.370); FDA 21 CFR (184.1005); FDA 21 CFR (73.85)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥80%; ≥96%; ≥99%; ≥99.0%; ≥99.0% (GC/T); ≥99.0% (T); ≥99.5%; ≥99.5% (GC/T); ≥99.5% (T); ≥99.7%; ≥99.8%; ≥99.8% (GC); ≥99.8% (GC/T); ≥99.85%; ≥99.99% (Purity based on metals analysis); 1% v/v aq. soln.; 4% v/v aq. soln.; 49-51% (T); 90%; 99% min; 99.4% min; 99.5-100.0%; 99.7+%; 99.8%; 99.8-100.5%; 99.9+% (metals basis); 99.9985% (metals basis); 99+%; 99-100%
• Concentration: 0.1 M CH3COOH (0.1N); 0.5 M CH3COOH (0.5N); 1 M; 1 N; 1.0 M CH3COOH (1.0N); 1.0 M CH3COOH (1N); 1.000 g/L in H2O; 2.0 M CH3COOH (2.0N); 27.0-33.0%; 80% in H2O
• Grade: ACS; ACS reagent; analytical standard; anhydrous; eluent additive for LC-MS; FG; for HPLC; for luminescence; for microbiology; for titration in non-aqueous medium; for use as solvent (for perchloric acid titration); Halal; HPLC; JIS special grade; Kosher; natural; Ph Eur; puriss.; puriss. p.a.; purum; REAGENT; ReagentPlus®; SAJ first grade; SAJ super special grade; semiconductor grade MOS PURANAL™ (Honeywell 17926); semiconductor grade PURANAL™ (Honeywell 17866); technical; TraceSELECT®; TraceSELECT® Ultra
• Packaging: ampule of 500 mg; pkg of 0.1 mol (6.005 g CH3COOH); pkg of 1.0 mol (60.053 g CH3COOH)
• Suitability: corresponds for appearance; corresponds for identity (USP); corresponds for luminescence; corresponds to standard for filter test; corresponds to standard for RP gradient test; in accordance for luminescence; in accordance for miscibility; meets EP, BP, USP testing specifications; meets USP testing specifications; passes test for indifference to chromic acid; passes test for LC-MS; suitable for amino acid analysis
• Evaporation Residue: ≤0.0005%; ≤0.001%; ≤0.005%
• Impurities: <0.05 wt. % Formic acid; <20 ppm Methyl acetate; ≤0.0002% acetaldehyde; ≤0.0002% heavy metals (as Pb); ≤0.0004 meq/g basic impurities; ≤0.0004 meq/g Titr. base; ≤0.0005% heavy metals (as Pb); ≤0.0005% non-volatile matter; ≤0.002% KMnO4 red. matter (as HCOOH); ≤0.004 meq/g basic impurities; ≤0.005% non-volatile matter; ≤0.0050% Nonvolatile matter; ≤0.01% acetic anhydride; ≤0.01% acetic anhydride (GC); ≤0.01% KMnO4 red. matter (as HCOOH); ≤0.050% Formic acid; ≤0.1% water; ≤0.150% water; ≤0.2% water; ≤0.2% water (Karl Fischer); ≤1.0 mg Nonvolatile residue; ≤5 ppm Acetaldehyde; ≤5 ppm non-volatile matter; Class III solvents, passes test; Cr2O72- reducers, passes test; insoluble matter, passes filter test; K2Cr2O7 red. substances, complies; KMnO4-reducing substances, in accordance; MnO4- reducers, passes test; Readily oxidizable substances, passes test; residual solvents, complies
• Cation Traces: Ag: ≤0.01 mg/kg; Ag: ≤0.01 μg/kg; Ag: ≤0.5 μg/kg; Al: ≤0.05 mg/kg; Al: ≤0.2 μg/kg; Al: ≤0.5 mg/kg; Al: ≤5 μg/kg; As: ≤0.01 mg/kg; As: ≤0.5 μg/kg; As: ≤1 μg/kg; Au: ≤0.02 μg/kg; Au: ≤1 μg/kg; Ba: ≤0.01 mg/kg; Ba: ≤0.01 μg/kg; Ba: ≤0.5 μg/kg; Be: ≤0.01 mg/kg; Be: ≤0.01 μg/kg; Be: ≤0.1 mg/kg; Be: ≤0.5 μg/kg; Bi: ≤0.01 μg/kg; Bi: ≤0.1 mg/kg; Bi: ≤0.5 μg/kg; Ca: ≤0.2 mg/kg; Ca: ≤1 μg/kg; Ca: ≤20 μg/kg; Cd: ≤0.01 μg/kg; Cd: ≤0.02 mg/kg; Cd: ≤0.05 mg/kg; Cd: ≤0.5 μg/kg; Ce: ≤0.01 μg/kg; Ce: ≤0.5 μg/kg; Co: ≤0.01 mg/kg; Co: ≤0.01 μg/kg; Co: ≤0.5 μg/kg; Cr: ≤0.02 mg/kg; Cr: ≤0.05 mg/kg; Cr: ≤0.1 mg/kg; Cr: ≤0.1 μg/kg; Cr: ≤1 μg/kg; Cs: ≤0.01 μg/kg; Cs: ≤0.5 μg/kg; Cu: ≤0.01 mg/kg; Cu: ≤0.02 mg/kg; Cu: ≤0.2 μg/kg; Cu: ≤2 μg/kg; Cu: ≤5 mg/kg; Dy: ≤0.01 μg/kg; Er: ≤0.01 μg/kg; Eu: ≤0.01 μg/kg; Fe: ≤0.1 mg/kg; Fe: ≤0.2 mg/kg; Fe: ≤0.2 ppm; Fe: ≤0.5 mg/kg; Fe: ≤0.5 μg/kg; Fe: ≤0.50 ppm; Fe: ≤10 μg/kg; Fe: ≤2 mg/kg; Fe: ≤5 mg/kg; Ga: ≤0.01 μg/kg; Ga: ≤0.5 μg/kg; Gd: ≤0.01 μg/kg; Ge: ≤0.02 μg/kg; Ge: ≤0.05 mg/kg; Ge: ≤0.5 mg/kg; Ge: ≤0.5 μg/kg; heavy metals (as Pb): ≤0.5 ppm; heavy metals: ≤0.5 ppm; heavy metals: ≤5 ppm; Hf: ≤0.01 μg/kg; Hg: ≤1 μg/kg; Ho: ≤0.01 μg/kg; In: ≤0.01 μg/kg; In: ≤0.5 μg/kg; Ir: ≤0.01 μg/kg; K: ≤0.1 mg/kg; K: ≤0.5 μg/kg; K: ≤10 μg/kg; La: ≤0.01 μg/kg; Li: ≤0.01 mg/kg; Li: ≤0.01 μg/kg; Li: ≤0.5 μg/kg; Lu: ≤0.01 μg/kg; Mg: ≤0.1 mg/kg; Mg: ≤0.1 μg/kg; Mg: ≤5 μg/kg; Mn: ≤0.01 mg/kg; Mn: ≤0.02 μg/kg; Mn: ≤0.5 μg/kg; Mo: ≤0.02 mg/kg; Mo: ≤0.1 μg/kg; Mo: ≤0.5 μg/kg; Na: ≤0.5 mg/kg; Na: ≤1 μg/kg; Na: ≤20 μg/kg; Nd: ≤0.01 μg/kg; Ni: ≤0.02 mg/kg; Ni: ≤0.05 mg/kg; Ni: ≤0.1 mg/kg; Ni: ≤0.1 μg/kg; Ni: ≤1 μg/kg; Pb: ≤0.01 μg/kg; Pb: ≤0.02 mg/kg; Pb: ≤0.5 mg/kg; Pb: ≤1 μg/kg; Pd: ≤0.02 μg/kg; Pr: ≤0.01 μg/kg; Pt: ≤0.02 μg/kg; Pt: ≤0.5 μg/kg; Rb: ≤0.01 μg/kg; Rb: ≤0.5 μg/kg; Re: ≤0.01 μg/kg; Rh: ≤0.01 μg/kg; Ru: ≤0.01 μg/kg; Sb: ≤0.05 μg/kg; Sb: ≤0.5 μg/kg; Se: ≤1 μg/kg; Sm: ≤0.01 μg/kg; Sn: ≤0.1 μg/kg; Sn: ≤0.5 μg/kg; Sr: ≤0.01 mg/kg; Sr: ≤0.01 μg/kg; Sr: ≤0.5 μg/kg; Tb: ≤0.01 μg/kg; Te: ≤0.01 μg/kg; Th: ≤0.01 μg/kg; Ti: ≤0.01 mg/kg; Ti: ≤0.05 μg/kg; Ti: ≤0.1 mg/kg; Ti: ≤1 μg/kg; Tl: ≤0.01 μg/kg; Tl: ≤0.05 mg/kg; Tl: ≤0.5 μg/kg; Tm: ≤0.01 μg/kg; U: ≤0.01 μg/kg; U: ≤0.5 μg/kg; V: ≤0.01 mg/kg; V: ≤0.01 μg/kg; V: ≤0.1 mg/kg; V: ≤1 μg/kg; W: ≤0.01 μg/kg; Y: ≤0.01 μg/kg; Yb: ≤0.01 μg/kg; Zn: ≤0.05 mg/kg; Zn: ≤0.2 μg/kg; Zn: ≤2 μg/kg; Zn: ≤5 mg/kg; Zr: ≤0.01 μg/kg; Zr: ≤0.1 mg/kg; Zr: ≤0.5 μg/kg; Zr: ≤1 mg/kg
• Antion Traces: chloride (Cl-): ≤0.5 mg/kg; chloride (Cl-): ≤1 ppm; chloride (Cl-): ≤2 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): passes test; phosphate (PO43-): ≤0.5 mg/kg; sulfate (SO42-): ≤0.5 mg/kg; sulfate (SO42-): ≤1 mg/kg; sulfate (SO42-): ≤1 ppm; sulfate (SO42-): ≤5 mg/kg; sulfate (SO42-): passes test
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: double-distillation
• Quality Level: PREMIUM
• Quality: Analytical Reagent; indiff. against chromic acid; meets analytical specification of Ph. Eur., BP, USP, FCC; volumetric
• Factor: 1.000 ±0.002
• Dilution Test: passes test
• λ: neat
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• indiff. to chromic acid: in accordance
• Linear Formula: CH3CO2H

DETAILS

MP Biomedicals - 02193830

Purity: >99%

MP Biomedicals - 02193829

ACS Reagent Grade
Purity: 99+%

DrugBank - DB03166

• Drug Groups: approved
• Description: Acetic acid is a product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed) Acetic acid otic (for the ear) is an antibiotic that treats infections caused by bacteria or fungus.
• Indication: Used to treat infections in the ear canal.
• Affected Organisms: Bacteria
• References: [eMedicine]
• External Links: Wikipedia; Drugs.com

Sigma Aldrich - 45740

Other Notes
Sales restrictions may apply

Sigma Aldrich - W200611

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in comp drum

Sigma Aldrich - 40209

Legal Information
PURANAL is a trademark of Honeywell Specialty Chemicals Seelze GmbH

Sigma Aldrich - W200603

Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10, 25 kg in comp drum

Sigma Aldrich - 49199

Caution
Sales restrictions may apply

Sigma Aldrich - 34254

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 34256

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 40273

Legal Information
PURANAL is a trademark of Honeywell Specialty Chemicals Seelze GmbH

Sigma Aldrich - 318590

General description
Visit our Titration Center to learn more.
Packaging
2 L in glass bottle
500 mL in glass bottle

Sigma Aldrich - 13669

Preparation Note
prepared with acetic acid and H2O
General description
filtered through a 0.45 μm membrane filter

Sigma Aldrich - A8976

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 45730

Other Notes
Sales restrictions may apply

Sigma Aldrich - 45731

Other Notes
Sales restrictions may apply

Sigma Aldrich - 695092

Packaging
100, 12×100 mL in poly bottle
2.5 L-GL in glass bottle
2.5, 6×2.5 L in poly bottle
500 mL in poly bottle
500 mL-GL in glass bottle
6×500 mL in poly bottle
6×500 mL-GL in glass bottle

Sigma Aldrich - 242853

Other Notes
ACS specifications same as product 320099
Packaging
100 g in glass bottle

Sigma Aldrich - 90577

Application
A selective supplement for the selective isolation of Bifidobacterium species by colony count technique from milk products.
Compatibility
(per vial, sufficient for 500 ml medium)Glacial acetic acid (1%) 5 ml

Sigma Aldrich - 537020

Packaging
1, 3 kg in glass bottle

Sigma Aldrich - 338826

Packaging
25, 100, 500 mL in glass bottle

Sigma Aldrich - 07692

Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - A6283

Packaging
1, 2.5 L in glass bottle
100, 500 mL in glass bottle
18 L in poly drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 320099

Packaging
2.5, 6×2.5 L in glass bottle
500, 6×500 mL in glass bottle

Sigma Aldrich - 45754

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 38051

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 1.0mol/L (1.0N); amount of substance 1.0mol (60.053 g CH3COOH)
Packaging
glass ampoule

Sigma Aldrich - 38050

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.1mol/L (0.1N); amount of substance 0.1mol (6.005 g CH3COOH)
Packaging
glass ampoule

Sigma Aldrich - 34255

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 01-0310

Suitability
for chromatography

Sigma Aldrich - 695084

Packaging
2.5 L in glass bottle
25 mL in glass bottle

Sigma Aldrich - 45727

Packaging
1, 2.5 L in poly bottle
100, 500 mL in poly bottle
Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - A9967

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
2.5 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - 33209

Application
for use as solvent for perchloric acid titration
Packaging
1, 6×1, 2.5, 4×2.5 L-GL in glass bottle
In PE-bottles; also available Glass-bottles (Material no. ending with *-GL)

Sigma Aldrich - 01-0330

Suitability
cholesterol determination

Sigma Aldrich - 01-0320

Suitability
nitroxide determination

REFERENCES

• eMedicine