Diethylene glycol monobutyl ether acetate
PubChem CID: 31288
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| Compound Synonyms | 2-(2-Butoxyethoxy)ethyl acetate, 124-17-4, Diethylene glycol monobutyl ether acetate, BUTYL CARBITOL ACETATE, Butyl diglycol acetate, Butoxyethoxyethyl acetate, Ethanol, 2-(2-butoxyethoxy)-, 1-acetate, Glycol ether DB aceatate, Diglycol monobutyl ether acetate, Ektasolve DB acetate, 2-(2-Butoxyethoxy)ethanol acetate, Ethanol, 2-(2-butoxyethoxy)-, acetate, Butyl diethylene glycol acetate, Butylkarbitolacetat, Diethyleneglycol monobutyl ether acetate, Diethylene glycol butyl ether acetate, HSDB 334, UNII-U6UTS77LXB, U6UTS77LXB, DE Acetate, diethyleneglycolmonobutyletheracetate, NSC 5175, EINECS 204-685-9, BRN 1771533, DTXSID9027021, Acetic acid 2-(2-butoxyethoxy)ethyl ester, AI3-00170, Diethylene glycol, monobutyl ether, acetate, Diethylene glycol mono-n-butyl ether acetate, 2-(2-Butoxyethoxy)ethylester kyseliny octove, NSC-5175, NSC-6570, 1-Butoxy-2-(2-acetoxyethoxy)-ethane, HYKLEEN 340, DTXCID707021, EC 204-685-9, Diethylene glycol-monobutyl ether acetate, Ethanol, 2-(2-butoxy-ethoxy)-, acetate, WLN: 4O2O2OV1, DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE [HSDB], Butylkarbitolacetat [Czech], CAS-124-17-4, Glycol Ether DB Acetate, Butyldiglykolacetat, butyldiglycolacetate, DEGBEA, DGBEA, 2-(2-Butoxyethoxy)ethylester kyseliny octove [Czech], BUTETH-2 ACETATE, SCHEMBL48354, 2(2Butoxyethoxy)ethyl acetate, 2(2Butoxyethoxy)ethanol acetate, CHEMBL1892052, NSC5175, NSC6570, 2-BUTOXYETHOXYETHYL ACETATE, 2-(2-n-butoxyethoxy)ethyl acetate, Ethanol, 2(2butoxyethoxy), acetate, Tox21_201957, Tox21_303055, MFCD00009458, Ethanol, 2(2butoxyethoxy), 1acetate, AKOS015901615, Acetic acid 2(2butoxyethoxy)ethyl ester, NCGC00164259-01, NCGC00164259-02, NCGC00257140-01, NCGC00259506-01, LS-13896, 2(2Butoxyethoxy)ethylester kyseliny octove, 2-(2-BUTOXYETHOXY) ETHANOL ACETATE, CS-0152079, D0499, NS00008036, 2-(2-Butoxyethoxy)ethyl acetate, >=99.2%, acetic acid 2-(2-butoxy-ethoxy)-ethyl ester, Q11856099, Diethylene glycol monobutyl ether acetate, Butyldiglycol acetate, Diethylene glycol monobutyl ether acetate, SAJ first grade, >=98.0% |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCOCCOCCOC=O)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-butoxyethoxy)ethyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O4 |
| Inchi Key | VXQBJTKSVGFQOL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2-(2-butoxyethoxy)-ethanol acetate |
| Esol Class | Very soluble |
| Functional Groups | COC, COC(C)=O |
| Compound Name | Diethylene glycol monobutyl ether acetate |
| Exact Mass | 204.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.26 |
| 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/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3 |
| Smiles | CCCCOCCOCCOC(=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 Thymus Serpyllum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643419