Products Categories
| CAS No.: | 1335-46-2 |
|---|---|
| Name: | METHYLIONONE |
| Molecular Structure: | |
|
|
|
| Formula: | C14H22O |
| Molecular Weight: | 206.32 |
| Synonyms: | 6-Methylionone; |
| EINECS: | 215-635-0 |
| Density: | 0.928 g/cm3 |
| Boiling Point: | 285.1ºC at 760 mmHg |
| Flash Point: | 122ºC |
| Solubility: | 20mg/L(25 oC) |
| Appearance: | Colourless to pale yellow liquid |
| PSA: | 17.07000 |
| LogP: | 3.90420 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 13360-57-1Dimethylsulfamoyl chloride
- 133654-02-1POLYGLYCERYL-3 CAPRATE
- 133710-62-04,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-
- 133745-75-2N-Fluorobenzenesulfonimide
- 1337-76-4ATTAPULGITE
- 133791-17-0Methyl [E]-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate
- 13385-66-52-isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid hydrochloride
- 13395-16-9Cupric acetylacetonate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The Ionone, methyl-, with CAS registry number 1335-46-2, has the systematic name of (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one. Besides this, it is also called Methylionone. And the chemical formula of this chemical is C14H22O. What's more, its EINECS is 215-635-0.
Physical properties of Ionone, methyl-: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 66.34 cm3; (9)Molar Volume: 222.1 cm3; (10)Polarizability: 26.29×10-24cm3; (11)Surface Tension: 32.9 dyne/cm; (12)Density: 0.928 g/cm3; (13)Flash Point: 122 °C; (14)Enthalpy of Vaporization: 52.41 kJ/mol; (15)Boiling Point: 285.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00286 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\C1C(=C/CCC1(C)C)\C)CC
(2)InChI: InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
(3)InChIKey: VPKMGDRERYMTJX-CMDGGOBGBY
(4)Std. InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
(5)Std. InChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1513, 1980. |