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Name	VALERENAL	EINECS	N/A
CAS No.	4176-16-3	Density	0.97g/cm³
PSA	17.07000	LogP	3.90420
Solubility	N/A	Melting Point	N/A
Formula	C15H22 O	Boiling Point	326°C at 760 mmHg
Molecular Weight	218.339	Flash Point	157.9°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	A poison.
Synonyms	2-Propenal,3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4a(E),7b,7aa]]-; Indene-4-acrolein, 2,4,5,6,7,7a-hexahydro-a,3,7-trimethyl- (7CI,8CI); Valerenal	Article Data	4

VALERENAL Chemical Properties

IUPAC Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
Synonyms: Valeneral ; (E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-indene-4-yl]-2-methylpropenal
Product Categories: Indenes, Valerian
Molecular Formula of Valerenal (CAS NO. 4176-16-3 ) : C₁₅H₂₂O
Structure Descriptors :
Smiles: C(\C(=C\[C@H]1C2=C(CC[C@@H]2[C@@H](CC1)C)C)C)=O
Molecular Structure of Valerenal (CAS NO. 4176-16-3 ) :

Molecular Weight: 218.33 g/mol
Index of Refraction: 1.509
Density: 0.97 g/cm³
Flash Point: 157.9 °C
Surface Tension: 33.5 dyne/cm
Boiling Point: 326 °C at 760 mmHg
Enthalpy of Vaporization: 56.81 kJ/mol
Vapour Pressure: 0.000222 mmHg at 25°C

VALERENAL Toxicity Data With Reference

ipr-mus TDLo:50 mg/kg

TCPHP* Toxicology and Clinical Pharmacology of Herbal Products Melanie Johns Cupp ed.,Humana press,2000,56.

VALERENAL Safety Profile

A poison by intraperitoneal route. When heated to decomposition, Valerenal (CAS NO. 4176-16-3 ) emits acrid smoke and irritating vapors.

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