Summary

IMPPAT Phytochemical identifier: IMPHY017767

Phytochemical name: 2-Butoxyethyl acetate

Synonymous chemical names:
2-butoxyethanol acetate

External chemical identifiers:
CID:8160, ChEMBL:CHEMBL2141776, ZINC:ZINC000002041057, FDASRS:WK5367RE39, SureChEMBL:SCHEMBL22372, MolPort-003-925-105

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Chemical structure information

SMILES:
CCCCOCCOC(=O)C

InChI:
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3

InChIKey:
NQBXSWAWVZHKBZ-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCOC=O)C

Functional groups:
COC, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.002

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Chemical structure download