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Cas Database |
| Name |
6-Demethoxyageratochromene |
EINECS | N/A |
| CAS No. | 17598-02-6 | Density | 1.039g/cm3 |
| PSA | 18.46000 | LogP | 2.87940 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14 O2 | Boiling Point | 292.7°Cat760mmHg |
| Molecular Weight | 190.242 | Flash Point | 105.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | 22-51/53 |
| Molecular Structure |
|
Hazard Symbols | Xn,N |
| Synonyms |
6-Demethoxyageratochromene;7-Methoxy-2,2-dimethylchromene; Demethoxyageratochromene; NSC 318791; Precocene1; Precocene I |
Article Data | 33 |
6-Demethoxyageratochromene Chemical Properties
Molecular Formula: C12H14O2
Molar mass: 190.24 g/mol
EINECS: 241-566-0
Density: 1.039 g/cm3
Flash Point: 105.1 °C
Index of Refraction: 1.519
Boiling Point: 292.7 °C at 760 mmHg
Vapour Pressure: 0.00315 mmHg at 25°C
Structure of 6-Demethoxyageratochromene (17598-02-6):
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: 7-Methoxy-2,2-dimethyl-chromene
SMILES: O(c2ccc\1c(OC(/C=C/1)(C)C)c2)C
InChI: InChI=1/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
InChIKey: CPTJXGLQLVPIGP-UHFFFAOYAS
Std. InChI: InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
Std. InChIKey: CPTJXGLQLVPIGP-UHFFFAOYSA-N
6-Demethoxyageratochromene Safety Profile
Questionable carcinogen with experimental carcinogenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany: 3
RTECS: DJ2529000
6-Demethoxyageratochromene Specification
6-Demethoxyageratochromene (17598-02-6) also can be called Precocene I ; 7-Methoxy-2,2-dimethylchromene ; 2,2-Dimethyl-2H-chromen-7-yl methyl ether ; 7-Methoxy-2,2-dimethyl-2H-1-benzopyran ;and ; 7-Methoxy-2,2-dimethyl-2H-chromen .
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