AromaDb: A Database of Plant's Aroma Molecules

Isobornylformate Details

: IUPAC Name
Isobornylformate
:Chemical Class
:CAS Registry Number
1200-67-5
:Description

:Fragrance Type
camphoraceous aroma??

Physical and Chemical properties

PUBCHEM ID23623868
Molecular Weight (mg/mol)182.265
Molecular FormulaC11H18O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC NameIsobornylformate
Canonical SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC=O)C2
PUBCHEM IUPAC INCHIKEYRDWUNORUTVEHJF-KKZNHRDASA-N
Solubility Level3
Vapour Pressure-0.883

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA66.39
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.275
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD507.24664
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 1200-67-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1200-67-5 Isobornylformate

Compound Image


2D Structure

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