Geranic Acid Details

---

Physical and Chemical properties

PUBCHEM ID	5275520
Molecular Weight (g/mol)	168.233
Molecular Formula	C10H16O2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienoic acid
Canonical SMILES	C/C(C)=CCC/C(C)=C/C(=O)O
PUBCHEM IUPAC INCHIKEY	ZHYZQXUYZJNEHD-VQHVLOKHSA-N
Solubility Level	3
Vapour Pressure	-2.217

Absorption and Metabolism information

XLOGP3 AA	3.1
CACTVS TPSA	37.3
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.168
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	3.08956 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

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

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Scotch spearmint	Pratik	Mentha x gracilis Pratik essential oil
2	Lemon verbena		Aloysia citrodora essential oil