Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001834

Phytochemical name: 2-Butoxyethanol

Synonymous chemical names:
ethanol, 2-butoxy, 2-butoxyethanol

External chemical identifiers:
CID:CID_8133, ChEMBL:CHEMBL284588, ChEBI:CHEBI:63921, ZINC:ZINC000001690437, FDASRS:I0P9XEZ9WV, SureChEMBL:SCHEMBL15712, MolPort-001-791-489

---

Chemical structure information

SMILES:
CCCCOCCO

InChI:
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

InChIKey:
POAOYUHQDCAZBD-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCO

Functional groups:
COC, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.105

---

Chemical structure download