2-Allylcyclohexanone

ALDRICH/405752 - 97%

CAS Number: 94-66-6
Empirical Formula (Hill Notation): C₉H₁₄O
Molecular Weight: 138.21
EC Number: 202-352-2
MDL Number: MFCD00043548
Linear Formula: H₂C=CHCH₂C₆H₉(=O)
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-405752-5G	5 g	$188.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	94 °C/23 mmHg (lit.)
density	0.927 g/mL at 25 °C (lit.)
form	liquid
functional group	allyl
	ketone
InChI	1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2
InChI key	UPGHEUSRLZSXAE-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.469 (lit.)
SMILES string	C=CCC1CCCCC1=O

Application:	2-Allylcyclohexanone may be used in the synthesis of the following: • bicyclo[3.3.1]non-2-en-9-one • R-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis
General description:	2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.
Packaging:	1, 5 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312 + H332 - H315 - H319 - H335
Precautionary statements	P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	22-26-36/37/39-45
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	97%
bp	94 °C/23 mmHg (lit.)
Density	0.927 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.469 (lit.)
UNSPSC	12352100

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