ethyl acetate

• ChemBase ID: 105902
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: CCOC(=O)C
• Canonical SMILES: CCOC(=O)C
• InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
• InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl acetate
• IUPAC Systematic name: Ethyl ethanoate
• IUPAC Traditional name: ethyl acetate
• Synonyms: Acetic acid ethyl ester; Ethyl acetate, HPLC Grade; Ethyl acetate, Spectrophotometric Grade; Ethyl acetate, ACS; Acetic ether; Acetoxyethane; Ethyl acetic ester; Ethyl ethanoate; RCRA waste number U112; Vinegar naphtha; ETHYL ACETATE ACS REAGENT GRADE; ETHYL ACETATE, ABSOLV GRADE; ETHYL ACETATE, GC GRADE; ETHYL ACETATE, ANHYDROSOLV GRADE; ETHYL ACETATE; ETHYL ACETATE, HPLC/SPECTRO GRADE; EtOAc; Ethyl acetate; Ethylis acetas; Ethyl acetate, Environmental Grade; 乙酸乙酯, HPLC级; 乙酸乙酯, 光谱级; 乙酸乙酯, ACS; 乙酸乙酯; 乙酸乙酯; 乙酸乙酯, 环境级

Database IDs

• CAS Number: 141-78-6
• EC Number: 205-500-4
• MDL Number: MFCD00009171
• Beilstein Number: 506104
• Merck Index: 143757
• PubChem SID: 24856422; 24865956; 24861589; 24872910; 24883759; 24878220; 24867917; 24869378; 24856464; 24901054; 24846371; 24881246; 24859258; 162092622; 24860028; 24861703; 24885335; 24861117; 24849485; 24901053; 24859197; 24869381
• PubChem CID: 8857
• CHEBI ID: 27750
• CHEMBL: 14152
• Chemspider ID: 8525
• FEMA ID: 2414
• KEGG ID: D02319
• Unique Ingredient Identifier: 76845O8NMZ
• Wikipedia Title: Ethyl_acetate
• Council of Europe Number: 191
• Flavis Number: 9.001
• E Number: E1504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2793563
• LogD (pH = 7.4): 0.2793563
• Log P: 0.2793563
• Molar Refractivity: 22.1614 cm^3
• Polarizability: 8.888966 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 8.3 g/100 mL (20 °C) in water; Miscible in ethanol,; acetone, diethyl ether,; benzene
• Apperance: APHA: ≤10; Colorless liquid; Liquid
• Melting Point: -83.6 °C; -83.6°C; -84 °C(lit.); -84°C
• Boiling Point: 76.5-77.5 °C; 76.5-77.5 °C(lit.); 76-77°C; 77.1°C; 77.2 °C; 77°C
• Flash Point: 26.6 °F; -3 °C; -3°C(26°F); -4 °C; -5 °C (Setaflash closed cup, ASTM D3278)
• Auto Ignition Point: 485 °C (ASTM D2155); 801 °F
• Density: .902 g/cm^3 at 20 °C; 0.894-0.898 g/mL at 25 °C; 0.897 g/cm3; 0.898-0.902 g/mL at 20 °C; 0.902; 0.902 g/mL at 25 °C(lit.)
• Refractive Index: 1.3720; n20/D 1.3710-1.3730; n20/D 1.371-1.373; n20/D 1.372; n20/D 1.3720(lit.); n20/D 1.373
• Vapor Pressure: 73 mmHg ( 20 °C); 91.84 hPa at 18.7 °C
• Vapor Density: 3 (20 °C, vs air); 3.04 (air = 1)
• Absorption Wavelength: λ: 254 nm Amax: 1.00; λ: 255 nm Amax: ≤0.70; λ: 255 nm Amax: 1.00; λ: 256 nm Amax: ≤1.00; λ: 257 nm Amax: 0.50; λ: 260 nm Amax: ≤0.30; λ: 263 nm Amax: 0.05; λ: 263 nm Amax: 0.10; λ: 270 nm Amax: ≤0.10; λ: 275 nm Amax: ≤0.05; λ: 275 nm Amax: 0.05; λ: 275-400 nm Amax: 0.01; λ: 300 nm Amax: ≤0.01; λ: 300 nm Amax: ≤0.03; λ: 325-400 nm Amax: ≤0.005; λ: 330-400 nm Amax: 0.01; λ: 400 nm Amax: ≤0.01
• Viscosity: 0.426 cP at 25 °C
• Organoleptic: anise; ethereal; pineapple; pineapple; ethereal
• Transmittance: 260 nm, ≤50%; 300 nm, ≤98%

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• RTECS: AH5425000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Irritant (Xi)
• UN Number: 1173; UN1173
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 3YE
• Risk Statements: 11-36-66-67; R:11-36-53-66-67; R11, R36, R66, R67
• Safety Statements: 16-26-33; 2-16-26-33; S:16-26-29-33; S16, S26, S33
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Main Hazard: Flammable (F),; Irritant (Xi)
• NFPA704:
  

  4

  2
• LD50: 11.3 g/kg, rat
• Explode Limits: 2.2-11.5 %, 38 °F
• GHS Hazard statements: H225-H319-H336
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1173 3/PG 2
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.
• Storage Temperature: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.560); FDA 21 CFR (175.320); FDA 21 CFR (182.60)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99.5%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7%; ≥99.7% (GC); ≥99.8%; ≥99.8% (GC); ≥99.9% (GC); 99%; 99.5+%; 99.8%; 99.9%
• Grade: absolute; ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; anhydrous; B&J Brand (product of Burdick & Jackson); biotech. grade; capillary GC grade; CHROMASOLV®; CHROMASOLV® Plus; FG; for HPLC; for protein sequence analysis; for residue analysis; HPLC; JIS special grade; Kosher; Laboratory Reagent; LC-MS CHROMASOLV®; natural; Ph Eur; PRA grade; puriss.; puriss. p.a.; purum; REAGENT; ReagentPlus®; SAJ first grade
• Packaging: ampule of 1000 mg
• Suitability: complies for appearance of solution; complies for reaction against H2SO4; corresponds for chromatography; in accordance for sequence analysis test; passes test for identity (IR); passes test for reaction against H2SO4; passes test for suitability for LC-MS; suitable for 1000 per JIS; suitable for 300 per JIS; suitable for 5000 per JIS
• Evaporation Residue: <0.0001%; <0.0003%; <0.0005%; ≤0.0001%; ≤0.001%; ≤0.003%; ≤0.0030%
• Impurities: <0.005% water; <0.01% water; <0.050% water; ≤0.0005% free alkali (as NH3); ≤0.0005% non-volatile matter; ≤0.0009 meq/g Titr. acid; ≤0.0009 meq/g Titratable acid; ≤0.001% higher boiling impurities (GC); ≤0.001% non-volatile matter; ≤0.003 mg/mL non-volatile matter; ≤0.003% acidity (as CH3COOH); ≤0.003% non-volatile matter; ≤0.0045% free acid (as CH3COOH); ≤0.005% free acid (as CH3COOH); ≤0.01% methyl. comp.(as acetic acid methylester); ≤0.02% Ethyl alcohol; ≤0.02% water; ≤0.02% water (Karl Fischer); ≤0.03% water; ≤0.03% water (Karl Fischer); ≤0.04% ethanol; ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% 2-methyl-1-propanol (GC); ≤0.1% ethanol; ≤0.1% ethanol (GC); ≤0.1% isobutylalcohol; ≤0.1% methanol; ≤0.1% methanol (GC); ≤0.1% methyl acetate; ≤0.1% methyl acetate (GC); ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.2% related subst. (GC); ≤0.2% water; ≤0.2% Water (H2O); ≤0.200% water; ≤1.0 ppb Fluorescence (quinine) at 365 nm; ≤10 ng/L Pesticide residue analysis(as heptachlor epoxide); ≤5 ng/L suitability for residue analysis; H2SO4, passes test; H2SO4, passes test(darkened); residual solvents, complies; substances darkened by H2SO4, in accordance; Substances darkened by sulfuric acid, passes test
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: for pesticide residue analysis; meets analytical specification of Ph. Eur., BP, NF; over molecular sieve (H2O ≤0.005%)
• λ: H2O reference
• Halogenated residue (GC/ECD): <10 ng/L (as heptachlor epoxide); 2 ng/L (as lindane)
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Organic Residue: 1 μg/L (as toluene)
• Appearance: APHA: >10
• Linear Formula: CH3COOC2H5

DETAILS

MP Biomedicals - 02195046

ACS Reagent Grade
Purity: >99.5%

Sigma Aldrich - 439169

Packaging
2×10, 20 L in Nowpak™
4, 4×4 L in PVC coated
50 L in comp drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - W241407

Packaging
1 kg in glass bottle
10 kg in steel drum
1 sample in glass bottle
20, 186 kg in comp drum

Sigma Aldrich - 650528

Application
Suitable for HPLC, spectrophotometry, environmental testing
Packaging
1, 6×1, 4, 4×4 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 34972

Packaging
1, 2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 324027

Application
Suitable for pesticide residue analysis
Packaging
4×4 L in glass bottle
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 437549

Packaging
4, 4×4 L in PVC coated

Sigma Aldrich - W241415

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

Sigma Aldrich - 270989

Packaging
1, 2 L in Sure/Seal™
View returnable container options.
100 mL in Sure/Seal™
18, 200 L in Pure-Pac™ 1

Sigma Aldrich - 45770

Other Notes
Sales restrictions may apply

Sigma Aldrich - 45780

Other Notes
Sales restrictions may apply

Sigma Aldrich - 414743

Application
Suitable for environmental analysis
Packaging
4×4 L in glass bottle

Sigma Aldrich - 09652

Packaging
Special packaging for direct use in common sequencers.

Sigma Aldrich - 45764

General description
Special brochure (85475) available at cost price.
Other Notes
Sales restrictions may apply

Sigma Aldrich - 320307

Packaging
1 L in Sure/Seal™
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 34858

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1 pkg in Pure-Pac™ 2
100 mL in glass bottle
200 L in Pure-Pac™ 1
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4, 4×4 L in glass bottle
185 L in ss drum
20, 50 L in Pure-Pac™ 2
View returnable container options.
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 494518

Packaging
1, 2 L in Sure/Seal™
18 L packaged in Pure-Pac® stainless steel containers; 1 L, 2 L packaged in Sure/Seal® bottles
Legal Information
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 154857

Packaging
1, 2 L in glass bottle

Sigma Aldrich - 676810

Packaging
1, 4, 4×4 L in aluminum bottle

Sigma Aldrich - 45758

General description
no impurities present which would show greater signals than 5 ng/l lindane, in the GC/ECD retention time range of lindane to DDT

Sigma Aldrich - 319902

Packaging
1, 6×1, 2, 2.5, 4, 4×4 L in glass bottle
20, 200 L in steel drum
500, 6×500 mL in glass bottle

Sigma Aldrich - 537446

Packaging
20 L in steel drum
4 L in poly bottle
Application
Meets urethane grade requirements (H2O ≤ 0.05%)
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 45760

Other Notes
Sales restrictions may apply