| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one |
| InChI : | InChI=1/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1 |
| InChIKey : | BWRZDLYJNURUHS-XUXIUFHCBJ |
| SMILES : | CC1=CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C |
| cas number : | 37936-58-6 |
| molar refractivity : | 65.90 ± 0.4 cm3 |
| parachor : | 514.4 ± 6.0 cm3 |
| index of refraction : | 1.543 ± 0.03 |
| surface tension : | 36.8 ± 5.0 dyne/cm |
| density : | 1.10 ± 0.1 g/cm3 |
| polarizability : | 26.12 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 230.3022200 |
| formula : | C15 H18 O2 |
| BioActivity Analysis : | 457342 |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
| |
organoleptics :
|
properties :
|
| assay : | 80.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| boiling point : | 288.00 to 290.00 °C. @ 760.00 mm Hg
|
| logp : | 3.56 |
safety :
|
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| flash point ( Deg. F. ) : | 326.00 °F. TCC ( 163.33 °C. )
|
safety references :
|
| EPI System : | view |
| | | |
| | (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one
|
| chemidplus : | 037936586 |
| EPA Substance Registry Services : | 37936-58-6 |
| NLM Chemical Carcinogenesis Research Information System : | 37936-58-6 |
| NLM Developmental and Reproductive Toxicity : | 37936-58-6 |
| NLM Env. Mutagen Info. Center : | 37936-58-6 |
| NLM GENetic TOXicology : | 37936-58-6 |
| dtp/nci : | 321215 |
references :
|
| | (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one
|
| pubchem : | 677974 |
other :
|
|
synonyms :
|
| | eremanthin | | | eremanthine | | (3aS-(3aalpha, 6aalpha,9aalpha,9bbeta))- 3a,4,6a,7,8,9,9a,9b- | octahydro-6-methyl-3,9-bis(methylene) azuleno(4,5-b)furan-2(3H)-one | | | vanillosmin |
soluble in :
|
| | alcohol |
insoluble in :
|
| | water |
natural occurrence in :
|
| data page | laurel leaf oil turkey @ 0.10% |
|