Z-Linalool Oxide Details

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Physical and Chemical properties

PUBCHEM ID	6432254
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	170.249
Molecular Formula	C10H18O2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
IUPAC Name	2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Canonical SMILES	C=CC1(C)CCC(C(C)(C)O)O1
PUBCHEM IUPAC INCHIKEY	BRHDDEIRQPDPMG-WCBMZHEXSA-N
Solubility Level	4
Vapour Pressure	-1.667

Absorption and Metabolism information

XLOGP3 AA	1.4
CACTVS TPSA	29.5
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	1.433
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.8251 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	0
Effected Human Genes	HMGCR,TP53,SREBF2,DRD1,DRD2

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				34995-77-2	Z-Linalool Oxide

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Menthol mint, Corn mint, Japanese mint	Gomti	Mentha arvensis Gomti essential oil