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 | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_33281 |
|
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 | ||
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 | ||
subClassOf |