CAS No.99-49-0,CARVONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99-49-0
Name:	CARVONE
Article Data:	157

Formula:	C₁₀H₁₄O
Molecular Weight:	150.221
Synonyms:	p-Mentha-6,8-dien-2-one(8CI);2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one;2-Methyl-5-isopropenyl-2-cyclohexenone;5-Isopropyl-2-methyl-2-cyclohexen-1-one;2-Cyclohexen-1-one,2-methyl-5-(1-methylethenyl)-;DL-Carvone;Karvon;NSC 6275;
EINECS:	202-759-5
Density:	0.94 g/cm³
Melting Point:	230℃
Boiling Point:	230.5 °C at 760 mmHg
Flash Point:	88.9 °C

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of p-Mentha-6,8-dien-2-one is 99-49-0. In addition, the molecular formula is C₁₀H₁₄O and the molecular weight is 150.22. The IUPAC name is 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one. What's more, it is an oxidized derivative of limonene. And it is found naturally in many essential oils, but is most abundant in the oils from seeds of caraway and dill. In addition, it can be used as a food flavor.

Physical properties about this chemical are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.26; (3)ACD/LogD (pH 7.4): 2.26; (4)#H bond acceptors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.481; (8)Molar Refractivity: 45.48 cm³; (9)Molar Volume: 159.7 cm³; (10)Polarizability: 18.03 ×10^-24cm³; (11)Surface Tension: 29.8 dyne/cm; (12)Density: 0.94 g/cm³; (13)Flash Point: 88.9 °C; (14)Enthalpy of Vaporization: 46.71 kJ/mol; (15)Boiling Point: 230.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0656 mmHg at 25°C.

Preparation of p-Mentha-6,8-dien-2-one: it can be prepared by 2-Methyl-5-(2-methyloxiranyl)-2-cyclohexen-1-one. This reaction will need reagent AlI₃ and solvents acetonitrile and benzene. The reaction time is 0.5 hour. And the yield is about 87%.

p-Mentha-6,8-dien-2-one can be prepared by 2-Methyl-5-(2-methyloxiranyl)-2-cyclohexen-1-one

Uses of p-Mentha-6,8-dien-2-one: it can react with 2-iodo-propane to get 5-isopropenyl-3-isopropyl-2-methyl-cyclohexanone. This reaction will need reagent Zn(Cu) and solvent ethanol and H₂O. The yield is about 76% with ambient temperature.

p-Mentha-6,8-dien-2-one can react with 2-iodo-propane to get 5-isopropenyl-3-isopropyl-2-methyl-cyclohexanone

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(C\C=C1\C)C(C)=C
(2)Std.InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
(3)Std.InChIKey: ULDHMXUKGWMISQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	766mg/kg (766mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse	LD50	subcutaneous	2675mg/kg (2675mg/kg)	BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: SLEEP	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.
rat	LD50	oral	1640mg/kg (1640mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.