- 2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
- 2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI)
- 2-Buten-1-one,1,1'-(1,4-phenylene)bis[4,4,4-trifluoro-3-(trifluoromethyl)-
- 2-Buten-1-one,1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-
- 2-Buten-1-one,1-[(3aR,6S,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-,(2E)-
- 2-Buten-1-one,4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-1-(2-furanyl)-
- 57378-72-0Cyclohexanecarboxylicacid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)-
- 57381-26-71,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)-
- 57381-28-91,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)-, hydrobromide (1:1)
- 57381-34-7Benzonitrile,5-chloro-2-fluoro-
- 57381-39-2Benzonitrile,2-bromo-5-fluoro-
- 57381-43-8Benzoic acid,2,5-dibromo-, methyl ester
- 57381-44-9Benzonitrile,5-bromo-2-chloro-
- 57381-51-8Benzonitrile,4-chloro-2-fluoro-
- 57381-56-3Benzonitrile,2-chloro-5-fluoro-
- 57381-63-22-Chloro-5-fluorobenzoic acid ethyl ester
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Cas Database |
| Name |
2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- |
EINECS | 260-709-8 |
| CAS No. | 57378-68-4 | Density | 0.89 g/cm3 |
| PSA | 17.07000 | LogP | 3.37000 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H20O | Boiling Point | 263.6 °C at 760 mmHg |
| Molecular Weight | 192.301 | Flash Point | 103.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
delta-Damascone;1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one;Damascone, delta-; |
Article Data | 5 |
2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- Specification
The CAS register number of 2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- is 57378-68-4. It also can be called as 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one and the IUPAC name about this chemical is (E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one. The molecular formula about this chemical is C13H20O and the molecular weight is 192.2973.
Physical properties about 2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- are: (1)ACD/LogP: 3.83; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07Å2; (5)Index of Refraction: 1.465; (6)Molar Refractivity: 59.83 cm3; (7)Molar Volume: 216 cm3; (8)Polarizability: 23.71x10-24cm3; (9)Surface Tension: 27.2 dyne/cm; (10)Flash Point: 103.7 °C; (11)Enthalpy of Vaporization: 50.14 kJ/mol; (12)Boiling Point: 263.6 °C at 760 mmHg; (13)Vapour Pressure: 0.0102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/C=C/C)C1C(\C=C/CC1(C)C)C
(2)InChI: InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+
(3)InChIKey: XEJGJTYRUWUFFD-FNORWQNLBR
(4)Std. InChI: InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+
(5)Std. InChIKey: XEJGJTYRUWUFFD-FNORWQNLSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1821mg/kg (1821mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
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