Record Information
Version1.0
Creation date2010-04-08 22:11:56 UTC
Update date2019-11-26 03:11:54 UTC
Primary IDFDB015598
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name(+)-Myrtenyl formate
Description(+)-Myrtenyl formate is a flavouring ingredient. It is found in herbs such as hyssop oil (Hyssopus officinalis) and spices.
CAS Number72928-52-0
Structure
Thumb
Synonyms
SynonymSource
(+)-Myrtenyl formatemanual
(7,7-Dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl formateHMDB
FEMA 3405db_source
Myrtenyl formatebiospider
Predicted PropertiesNot Available
Chemical FormulaC11H16O2
IUPAC name
InChI IdentifierInChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3
InChI KeyQHPJGDWWLWJMPM-UHFFFAOYSA-N
Isomeric SMILESCC1(C)C2CC1C(COC=O)=CC2
Average Molecular Weight180.2435
Monoisotopic Molecular Weight180.115029756
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 73.30%; H 8.95%; O 17.75%DFC
Melting PointNot Available
Boiling PointBp10 93-97°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]25D -55 (c, 1.5 in CHCl3)DFC
Spectroscopic UV DataNot Available
Densityd20 1.01DFC
Refractive IndexnD 1.4794DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID4934572
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6429195
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB36669
CRC / DFC (Dictionary of Food Compounds) IDJGW26-A:KDS09-T
EAFUS ID1759
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1436271
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
woody
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
pine
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
oily
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference