Compound Selection

Formula: C10H14O

MW: 150.22

CAS: 2244-16-8

TNP NUMBER: TNP00399

MDL NUMBER: MFCD00063607

IUPAC: (5S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one

Smiles: C1(C[C@H](CC=C1C)C(=C)C)=O

Liquid

D(+)-Carvone, natural 98%

THERAPEUTIC CATEGORY: Carminative

REFERENCE: Merck 12, 1925

SOURCE: Found in caraway seeds and dill seeds oil

ACCEPTORS: 1

DONORS: 0

ROTATION BONDS: 0

N+O: 1

Chiral Centers: 1

LogP: 3

LogS: -3.62

LIPINSKI: 4

Synonyms: (+)-carvon;(s)-(+)-p-mentha-8-dien-2-one;(s)-2-cyclohexen-1-on;(s)-d-p-mentha-6,8,(9)-dien-2-one;2-methyl-5-(1-methylethenyl)-,(S)-2-Cyclohexen-1-one;p-Mentha-6,8-dien-2-one, (S)-(+)-;(S)-(+)-5-ISOPROPENYL-2-METHYL-2-CYCLOHEXANONE;(S)-5-ISOPROPENYL-2-METHYL-2-CYCLOHEXENONE

CAS:2244-16-8

MF:C10H14O

MW:150.22

EINECS:218-827-2

Product Categories:Biochemistry;Monocyclic Monoterpenes;Terpenes D(+)-Carvone

Chemical Properties: mp 88.9C bp 96-98 C10 mm Hg(lit.) alpha 57 (c=neat) density 0.960 g/mL at 20 C(lit.) FEMA 2249 refractive index n20/D 1.499 Fp 204 F Water Solubility <0.1 g/100 mL at 25 C Merck 14,1874 BRN 2042970 Stability:Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.

CAS DataBase Reference: 2244-16-8(

CAS DataBase Reference: ) NIST Chemistry Reference2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-(2244-16-8) EPA Substance Registry System2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-(2244-16-8) Xi Risk Statements 22 Safety Statements 24/25 RIDADR 2810 WGK Germany 1 RTECS OS8670000 F 8-9-23 Hazard Note Irritant HazardClass 6.1(a) PackingGroup II HS Code 29142900 D-1-Methyl-4-isopropenyl-6-cyclohexen-2-one D(+)-Carvone

Usage And Synthesis:

Chemical Properties: colourless or pale yellow liquid General DescriptionPale yellow or colorless liquid. Air & Water ReactionsMay be sensitive to prolonged exposure to light and air. Insoluble in water. Reactivity ProfileD(+)-Carvone may be sensitive to prolonged exposure to light and air. Incompatible with strong oxidizing agents and strong reducing agents Fire HazardD(+)-Carvone is combustible. D(+)-Carvone

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