UCSF

ZINC00895412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 6 Yes

Other Names:

1-acetoxyethane; ac. acetic ethyl ester; acetic acid ethyl ester; Acetic acid, ethyl ester; Acetic ester; Acetic ether; Acetidin; Acetoxyethane; Aethylacetat; CH3-CO-O-CH3; CH3COOC2H5; Essigsaeureethylester; Ethyl acetate; Ethyl acetic ester; Ethyl ethano

1-acetoxyethane; AcOEt; CH3-CO-O-CH3; Essigester; Essigsaeureethylester; EtOAc; Ethylacetat; Ethylazetat; acetic acid ethyl ester; acetic acid, ethyl ester; acetic ester; acetoxyethane; ethyl acetic ester; ethyl ethanoate; vinegar naphtha

1-Acetoxyethane;Acetic acid ethyl ester;Acetic acid, ethyl ester;Acetic ester;Acetic ether;Acetic-acid-ethylester;Acetidin;Acetoxyethane;Dibutylamine;Ethyl acetic ester;Ethyl ester of acetic acid;Ethyl ethanoate

141-78-6; Acetic ester; acet-et-ester; acet-eth-ester; acet-ethylester; acetic-acid-ethylester; ether; ethyl; ethylacetate; ethylether

141-78-6; C00849; Ethyl acetate

141-78-6; D02319; Ethyl acetate (NF)

Acetic acid ethyl ester

AI3-00404; Acetate d'ethyle [French]; Acetato de etilo [Spanish]; Acetic acid ethyl ester; Acetic acid, ethyl ester; Acetic ether; Acetidin; Acetoxyethane; Aethylacetat [German]; CCRIS 6036; Caswell No. 429; EINECS 205-500-4; EPA Pesticide Chemical Code 0

CHEBI:42244; CHEBI:23989; CHEBI:2389

Ethyl acetate (2-13c)

Ethyl Acetate (NF)

Ethyl Acetate [for Spectrophotometry]

Ethyl Acetate [Sequenation Solvent]

Ethyl acetate, 99%

Ethyl acetate, 99+%, extra pure

Ethyl acetate, 99.5%, for analysis

Ethyl acetate, 99.5%, for HPLC

Ethyl acetate, 99.5%, for spectroscopy ACS

Ethyl acetate, 99.5+%, for HPLC

Ethyl acetate, 99.5+%, for spectroscopy

Ethyl acetate, 99.6%, ACS reagent

Ethyl acetate, 99.8%, for biochemistry, AcroSeal§4

Ethyl acetate, 99.9%

Ethyl acetate, 99.9%, Extra Dry over Molecular Sieve, AcroSeal§4

Ethyl acetate, 99.9%, Extra Dry over Molecular Sieve, AcroSeal®

Ethyl acetate, 99.9%, Extra Dry, AcroSeal§4

Ethyl acetate, 99.9%, Extra Dry, AcroSeal®

Ethyl acetate, 99.9%, for electronic use, residue free

Ethyl acetate, ACS

Ethyl acetate, ACS, 99.5+%

Ethyl acetate, Environmental Grade

Ethyl acetate, Environmental Grade, 99.5+%

Ethyl acetate, for pesticide residue analysis

Ethyl acetate, for residue analysis, suitable for residue and pesticides analysis

Ethyl acetate, HPLC Grade

Ethyl acetate, HPLC Grade, 99.5+%

Ethyl acetate, Spectrophotometric Grade

Ethyl acetate, Spectrophotometric Grade, 99.5+%

Ethyl acetate-1,2-13c2

Ethylacetate

Ethylidene diacetate

MFCD00009171

MFCD00037529

MFCD00037530

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 3.09 -5.26 0 2 0 26 88.106 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 83.5 Acros Organics
Melting_Point 84? Alfa-Aesar
Melting_Point 84° Alfa-Aesar
BP [°C] 75 - 78 Acros Organics
Boiling_Point 76-77? Alfa-Aesar
Boiling_Point 76-77° Alfa-Aesar
BP 76-78° Oakwood Chemical
BP 77 TCI
Boiling_Point 77? Alfa-Aesar
Boiling_Point 77° Alfa-Aesar
Patent Database Links EP0771786; EP0780391; EP0787733; EP0794179; EP0796845; EP0812841; EP0815857; EP0816340; EP0819677; EP0820999; EP0822195; EP0831091; EP0834509; EP0867515; EP0872473; EP0872474; EP0879819; EP0887345; EP0897914; EP0902016; EP0908460; EP0909760; EP0933360; EP ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H336: May cause drowsiness or dizziness; H225: Highly flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
UniProt Database Links OR42A_DROME; OR42B_DROME; OR59A_DROME; OR67B_DROME; OR83A_DROME; OTEMO_PSEPU ChEBI
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R36: Irritating to eyes.; R66: Repeated exposure may cause skin dryness or cracking.; R67: Vapours may cause drowsiness and dizziness. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S33: Take precautionary measures against static discharges. Acros Organics
PUBCHEM_PATENT_ID US5216015 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.