CAS 64-19-7|Acetic acid|acetic acid|Volsol|Acetasol|acetic acid|ACETIC ACID, GLACIAL|ACETIC ACID, GLACIAL ACS REAGENT GRADE|ACETIC ACID GLACIAL, HPLC GRADE|Bifido Selective Supplement B|乙酸溶液|Bi...

General Information

Structure

Molecular Formula

C₂H₄O₂

Molecular Mass

60.05196

Exact Mass

60.02112937

Charge

0

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Canonic Smiles

CC(=O)O

Isomeric Smiles

CC(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-3.00

LogD (pH = 5.5)

-1.22

Log P

-0.22

Rotatable Bonds

0

H Donor

1

H Acceptors

2

Lipinski's Rule of Five

true

Acid pKa

4.54

Polar Surface Area

37.30

Polarizability

5.34

Molar Refractivity

12.64

LOG S

0.63

Data Source

Academic Data

176

Data Source

Names and Identifiers

IUPAC Traditional name

acetic acid

Synonyms

Acetic acidACETIC ACID, GLACIALACETIC ACID, GLACIAL ACS REAGENT GRADEACETIC ACID GLACIAL, HPLC GRADE乙酸溶液Bifido 选择性添加剂 BBifido Selective Supplement BGlacial acetic acidAcetic acid乙酸冰乙酸乙酸添加剂Acetic acid solutionAcetic acid Supplement乙酸溶液Acetic acid solutionGlacial acetic acidMethanecarboxylic acid乙酸Acetic acidAcetic acid concentrate冰醋酸乙酸根离子色谱标准液Acetate standard for IC冰乙酸乙酸, 0.1N 标准溶液Acetic acid, glacial, ACSAcetic acid glacialAcetic acid, Environmental Grade乙酸, 环境级加Acetic acid, 0.1N Standardized SolutionAcidum aceticum glacialeAcetic acid, Acculute Standard Volumetric Solution, Final Concentration 1.0N乙酸, 环境级冰乙酸,ACSAcetic acid, glacialAcetic acid, Environmental Grade Plus乙酸, 可稀释标准标定液, 最终浓度 1.0NAcetic acid, 1.0N Standardized Solution乙酸, 1.0N 标准溶液ACETIC ACIDHOAcMeCOOHEssigsaeureacide acetiqueCH3-COOHCH3CO2HEthanoic acidethoic acidINS No. 260E-260Acetic acidMethanecarboxylic acidMeCO2HEthylic acidE 260AcOHE260acetic acid

IUPAC name

acetic acid

Brand Name

VolsolAcetasol

IUPAC Systematic name

Ethanoic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Merck Index

Beilstein Number

EC Number

Council of Europe Number

Flavis Number

FEMA ID

PubChem CID

E Number

MeSH Name

CHEBI ID

15366CHEBI:40486CHEBI:22169CHEBI:2387CHEBI:15366

CHEMBL

ATC CODE

KEGG ID

Wikipedia Title

Chemspider ID

DrugBank ID

IUPHAR ligand ID

Gmelin ID

Unique Ingredient Identifier

Q40Q9N063P

BRENDA Database

1.1.1.422.3.3.81.1.99.291.2.3.33.8.1.21.2.98.12.3.1.356.2.1.225.4.3.31.1.1.3073.5.1.223.5.1.293.1.1.794.2.1.503.5.1.66

MetaboLights Database

MTBLS705MTBLS342MTBLS543MTBLS881MTBLS546MTBLS760MTBLS563MTBLS564MTBLS240MTBLS539MTBLS844MTBLS1452MTBLS2633MTBLS593MTBLS808

Protein Data Bank

3apv3avl1jqv1keq1oq13f1q1vgn2dc31fiu2i6d2iq73dew1xql3dd23erd3fsy

PubMed Citation Links

221734192215325512005138194695361677420019416101171908521510795016630552

BKMS React Database

19446757511

ACToR Database

68475-71-8157090-22-764-19-7

LIPID MAPS Instance

LMFA01010002

BRENDA Ligand Database

19446757511

SABIO-RK Database

143481225157137906605105627663862160341045412320134518128143837290

UniProt Database

A2CAR8Q49YM7B1XIF6P0CZ47Q2FG27Q65G33Q01728Q98DY6Q13SQ6Q18B36Q02HZ4Q8UBL6Q7NEK2Q3KKU6A4JA40

MetaCyc Database

ACET

Patent number

US2005079988US2004029963EP1053680EP1323717EP1061075EP1094065US2005049295US2005136136EP1029855US2005124698EP1035119US2005101601EP1547589EP1580193

NMRShiftDB Database

Reaxys Registry

CompTox Database

KNApSAcK Database

Reactom Database

R-HSA-162857R-HSA-71691R-HSA-9712208R-HSA-9712201R-HSA-444047R-HSA-444171R-HSA-433672R-HSA-5691507R-HSA-9712210R-HSA-9638046R-HSA-379048R-HSA-5433074R-HSA-749452R-HSA-2022887R-HSA-390304

SureChEMBL Database

SCHEMBL469

HMDB Database

HMDB0000042

BioModels Database

BIOMD0000000050BIOMD0000001061BIOMD0000000052BIOMD0000000244

Drug Central Database

PDBeChem Database

PPDB Database

BindingDB Database

KEGG DRUG Database

Registration numbers

Properties

Pharmacology Properties

no known allergens

Properties

Related Proteins

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

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]

MP Biomedicals

02193830

Purity: >99%

02193829

ACS Reagent Grade
Purity: 99+%

Wikipedia

Acetic_acid

Sigma Aldrich

40209

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

40273

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

W200603

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

W200611

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

13669

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

318590

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

45730

Other Notes
Sales restrictions may apply

07692

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

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

49199

Caution
Sales restrictions may apply

34256

General description
Visit our Titration Center to learn more.

34254

General description
Visit our Titration Center to learn more.

34255

General description
Visit our Titration Center to learn more.

45740

Other Notes
Sales restrictions may apply

45731

Other Notes
Sales restrictions may apply

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

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

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

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

242853

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

537020

Packaging
1, 3 kg in glass bottle

695084

Packaging
2.5 L in glass bottle
25 mL in glass bottle

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

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

320099

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

338826

Packaging
25, 100, 500 mL in glass bottle

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)

45754

Packaging
100, 500 mL in glass bottle

01-0320

Suitability
nitroxide determination

01-0330

Suitability
cholesterol determination

01-0310

Suitability
for chromatography

A8976

General description
Visit our Titration Center to learn more.

ChEBI

CHEBI:15366