eremanthin
 
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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 pagelaurel leaf oil turkey @ 0.10%



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