Ethylene glycol monobutyl ether acetate
PubChem CID: 8160
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| Compound Synonyms | 2-Butoxyethyl acetate, 112-07-2, Butoxyethyl acetate, ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE, Butyl glycol acetate, Butyl cellosolve acetate, Butylglycol acetate, Ethanol, 2-butoxy-, acetate, Ektasolve EB acetate, Ethylene glycol butyl ether acetate, 2-Butoxyethanol acetate, Butylcelosolvacetat, EGBEA, n-Butoxyethanol acetate, Glycol monobutyl ether acetate, 1-Acetoxy-2-butoxyethane, Acetic acid, 2-butoxyethyl ester, Butylcelosolvacetat [Czech], HSDB 435, Ethanol, 2-butoxy-, 1-acetate, 2-Butoxyethylester kyseliny octove, EINECS 203-933-3, BRN 1756960, DTXSID1026904, 2-Butoxyethylester kyseliny octove [Czech], WK5367RE39, DTXCID006904, EC 203-933-3, Butylcelosolvacetat (Czech), 2-Butoxyethyl acetate, 99%, ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE [HSDB], CAS-112-07-2, 2-Butoxyethylester kyseliny octove (Czech), 2-Butoxyethylacetate, Butoxyethanol acetate, Butylcellosolve acetate, 2-n-butoxyethyl acetate, UNII-WK5367RE39, Butylglykolacetat, Acetic Acid 2-Butoxyethyl Ester, Embkanol AEG, Buthylglycol acetate, 2butoxyethyl acetate, Butyl oxitol acetate, MFCD00009457, Butyl ethoxol acetate, Butyl ethoxyl acetate, nButoxyethanol acetate, 2-Butoxy-ethylacetaat, 2Butoxyethanol acetate, Ethylene glycol mono-n-butyl ether acetate, Butyl Cellusolve Acetate, n-Butyl cellosolve acetate, Ethanol, 2butoxy, acetate, SCHEMBL22372, 2-Butoxyethyl ester acetic acid, Acetic acid, 2butoxyethyl ester, 2-BUTOXYETHANOL, ACETATE, CHEMBL2141776, Ethyleenglycolmonobutyletheracetaat, CHEBI:229414, BUTOXYETHYL ACETATE [INCI], Tox21_201583, Tox21_303230, AKOS015901539, Ethylene glycol mono butyl ether acetate, NCGC00163968-01, NCGC00163968-02, NCGC00257034-01, NCGC00259132-01, AS-75503, B0700, NS00008743, Q122791, 203-933-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCOCCOC=O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butoxyethyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O3 |
| Inchi Key | NQBXSWAWVZHKBZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2-butoxyethanol acetate |
| Esol Class | Very soluble |
| Functional Groups | COC, COC(C)=O |
| Compound Name | Ethylene glycol monobutyl ether acetate |
| Exact Mass | 160.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3 |
| Smiles | CCCCOCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731