Summary

IMPPAT Phytochemical identifier: IMPHY007067

Phytochemical name: Linalyl acetate

Synonymous chemical names:
(-)-linalyl-acetate, linaloo acetate, linalool acetate, linalool and its acetate, linalyl acetate, linalyl acetate*, linalyl acétate, linalyl-acetate, linalylacetate, linayl acetate, liýnalyl acetate

External chemical identifiers:
CID:8294, ChEMBL:CHEMBL502773, ChEBI:78333, FDASRS:5K47SSQ51G, SureChEMBL:SCHEMBL58028, MolPort-001-783-102

---

Chemical structure information

SMILES:
C=CC(OC(=O)C)(CCC=C(C)C)C

InChI:
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

InChIKey:
UWKAYLJWKGQEPM-UHFFFAOYSA-N

DeepSMILES:
C=CCOC=O)C)))CCC=CC)C)))))C

Functional groups:
C=CC, CC=C(C)C, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.504

---

Chemical structure download