Benzaldehyde Details

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Physical and Chemical properties

PUBCHEM ID	240
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	106.122
Molecular Formula	C7H6O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
IUPAC Name	benzaldehyde
Canonical SMILES	O=Cc1ccccc1
PUBCHEM IUPAC INCHIKEY	HUMNYLRZRPPJDN-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	0

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	17.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	1.589
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	1.3339 g/kg_body_weight
Ocular Irritancy	Moderate
Hepatotoxic#Prediction	0
Effected Human Genes	AOX1, ALDH8A1, ALDH1A2, ALDH7A1, ALDH3A1, ALDH3B1, ALDH1A1, ALDH9A1, AOC3, TYR, ADH4, KYNU, AKR1A1, ALDH2, INTS2, CASP3, CSN1S1

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				100-52-7	Benzaldehyde

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Starflower		Borago officinalis essential oil
2	Feverfew		Tanacetum parthenium essential oil
3	Common yarrow		Achillea millefolium essential oil
4	Henna		Lawsonia inermis essential oil
5	Garden heliotrope		Heliotropium floridum essential oil
6	Star Thistle Honey		Centaurea calcitrapa essential oil
7	Star Thistle Honey		Centaurea calcitrapa essential oil
8	Fireweed		Crinum latifolium essential oil