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(E)-Linalool Oxide (Furanoid) Details

: IUPAC Name
2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
:Chemical Class
Monoterpene
:CAS Registry Number
34995-77-2
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID6431475
Molecular Weight (mg/mol)170.249
Molecular FormulaC10H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Canonical SMILESC=CC1(C)CCC(C(C)(C)O)O1
PUBCHEM IUPAC INCHIKEYBRHDDEIRQPDPMG-SCZZXKLOSA-N
Solubility Level4
Vapour Pressure -1.667

Absorption and Metabolism information

XLOGP3 AA1.4
CACTVS TPSA29.5
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.433
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 LD502.8251 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

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 34995-77-2 MAOB Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation 16719518
2 34995-77-2 MAOB Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation 16719518
3 34995-77-2 MAP2K1, MAPK1 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation 16719518
4 34995-77-2 MAP2K1, MAPK1 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation 16719518
5 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation 16719518
6 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation 16719518
7 34995-77-2 PCYT1A Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation 16719518
8 34995-77-2 PCYT1A Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation 16719518
9 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation 16719518
10 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation 16719518
11 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation 16719518
12 34995-77-2 Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation 16719518
13 34995-77-2 NR1H4, RDH16, ISYN Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay 21674753
14 34995-77-2 NR1H4, RDH16, ISYN Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay 21674753
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 34995-77-2 (E)-Linalool Oxide (Furanoid)

Compound Image


2D Structure

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