Preferred Name

linalyl acetate

Synonyms

rac-3,7-dimethylocta-1,6-dien-3-yl acetate

Bergamot mint oil

Bergamiol

Acetic acid linalool ester

(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate

Definitions

A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.

ID

http://purl.obolibrary.org/obo/CHEBI_6469

charge

0

database_cross_reference

Reaxys:1724497

PMID:23707744

PMID:23157022

PMID:24706627

PMID:24237351

Wikipedia:Linalyl_acetate

CAS:115-95-7

KEGG:C09863

HMDB:HMDB0039522

PMID:24599102

definition

A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.

formula

C12H20O2

has part

http://purl.obolibrary.org/obo/CHEBI_78335

http://purl.obolibrary.org/obo/CHEBI_78334

has role

http://purl.obolibrary.org/obo/CHEBI_33281

http://purl.obolibrary.org/obo/CHEBI_78295

http://purl.obolibrary.org/obo/CHEBI_35617

has_exact_synonym

rac-3,7-dimethylocta-1,6-dien-3-yl acetate

has_obo_namespace

chebi_ontology

has_related_synonym

Bergamot mint oil

Bergamiol

Acetic acid linalool ester

(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate

id

CHEBI:6469

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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/t12-/m0/s1

inchikey

UWKAYLJWKGQEPM-LBPRGKRZSA-N

label

linalyl acetate

mass

196.286

monoisotopicmass

196.14633

notation

CHEBI:6469

prefLabel

linalyl acetate

smiles

[C@](OC(C)=O)(CCC=C(C)C)(C=C)C

treeView

http://purl.obolibrary.org/obo/CHEBI_60911

subClassOf

http://purl.obolibrary.org/obo/CHEBI_60911

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