spathulenol
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
InChI :InChI=1/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1
InChIKey :FRMCCTDTYSRUBE-BGPZULBFBF
SMILES :CC1([C@H]2[C@@H]1[C@H]3[C@@H](CC[C@]3(C)O)C(=C)CC2)C
cas number :6750-60-3
molar refractivity :66.37 ± 0.4 cm3
parachor :529.1 ± 6.0 cm3
index of refraction :1.527 ± 0.03
surface tension :36.2 ± 5.0 dyne/cm
density :1.02 ± 0.1 g/cm3
polarizability :26.31 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 220.3504600
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		earthy herbal fruity
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 296.00 to 298.00 °C. @ 760.00 mm Hg
flash point : 255.00  °F.  TCC  ( 123.89 °C. )
logP (o/w) : 4.46
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for spathulenol usage levels up to :
  6.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 
chemidplus :006750603
EPA Substance Registry Services :6750-60-3
references :
NIST Chemistry WebBook :6750603
pubchem :669085
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1ar- (1aalpha,4aalpha, 7beta,7abeta,7balpha))-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop(e)azulen-7-ol
(+)-spathulenol
 spirosantalol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
isoamyl formate
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
 bornyl formate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 chamomile valerate
 cuminyl acetate
 diethyl malate
 dihydro-alpha-ionone
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
dextro-fenchone
 geranium concrete
 geranium oil moroccan
 geranyl tiglate
 herbal ketone
(E)-2-hexenoic acid
 hexyl tiglate
 hydroxymethyl hexyl ethyl ketone
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl 3-hexenoate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl furfuryl mercaptopropionate
 methyl hexyl ether
2-methyl-3-buten-2-ol
 myrtenyl acetate
 nonan-3-yl acetate
2-nonanone
3-nonanone
1,5-octadien-3-ol
3-octanon-1-ol
(Z)-4-octen-1-ol
isooctyl acetate
 oregano oleoresin
 orris capronate
beta-sesquiphellandrene
isopiperitenone
 propyl 2-furoate
 rose undecene
 rue flower oil colombia
 rue oil
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
 timber dioxolane
 tricyclodecenyl propionate
2-tridecanone
 viridiflorol
(odor and/or flavor) used in :
 chamomile
 herbal
natural occurrence in :
data pageangelica root oil @ 0.14%
data pageangelica seed oil @ 0.70%
data pageangelica seed oil CO2 extract @ 0.30%
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.90%
data pageartemisia variabilis flower oil italy @ 1.00%
data pagebaccharis coridifolia oil argentina @ 4.20%
data pagebackhousia citriodora f. muell. leaf oil @ 0.10%
data pagebasil oil CO2 sweet @ 0.62%
data pagebasil oil sweet @ 1.50%
data pagebay leaf oil @ 0.00-0.12%
data pagebois de rose leaf oil brazil @ 0.35-0.62%
data pagebois de rose oil brazil @ trace%
data pagecajuput oil @ 8.3%
data pagecascarilla bark oil @ 0.70%
data pagecassinia laevis flower oil australia @ 8.00%
data pagecassinia laevis leaf oil australia @ 4.00%
data pagecassis bud oil @ trace-2.70%
data pagecedrela wood oil @ 0.08%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 1.40%
data pageclary sage oil france @ trace%
data pageclary sage oil greece @ 0.20%
data pageclary sage oil spain @ 0.12%
data pagecrithmum maritimum l. oil turkey @ 0.30%
data pagecroton cajucara benth. leaf oil brazil @ 2.00%
data pagecroton flavens l. (welensali) leaf oil curacao @ 4.50%
data pagecubeb oil @ trace%
data pagecurcuma amada roxb. rhizome oil india @ 0.30%
data pagecurry leaf oil india @ 0.10%
data pagecurry wood leaf oil australia @ 42.20%
data pageelyonurus muticus (sprengel) o.kuntze leaf oil brazil @ 18.60%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 17.50%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 0.70%
data pageeucalyptus citriodora oil @ 0.10%
data pageeucalyptus globulus bicostata oil @ 0.13%
data pageeucalyptus globulus fruit oil @ 0.20%
data pageeucalyptus globulus maidenii f. muell oil @ 0.19%
data pageeucalyptus globulus oil @ 0.52%
data pageeucalyptus globulus pseudoglobulus oil @ 0.13%
data pageeucalyptus grandis w. hill ex maiden leaf oil ethiopia @ 0.50%
data pageeucalyptus saligna smith leaf oil ethiopia @ 9.20%
eucalyptus spathulata hook
data pageeucalyptus tereticornis smith leaf oil ethiopia @ 2.30%
data pageeucalyptus urophylla s.t. blake leaf oil ethiopia @ 0.50%
data pagefleabane oil @ 0.20%
data pagegeranium oil rwanda @ 0.22%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 2.00%
data pagehyptis spicigera lam. oil mali @ 0.20-0.50%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.30-0.70%
data pagehyssop oil CO2 extract @ 4.7%
data pagekachur oil @ 1.00%
data pagelabdanum leaf oil @ 0.50%
data pagelaurel leaf oil turkey @ 0.80%
data pagelaurel leaf oil turkey @ 4.90%
data pagelayana oil kenya @ 0.09%
data pagelemon verbena oil morocco @ 5.2%
data pagelemon verbena oil turkey @ 4.30%
data pagelime oil expressed florida @ trace%
data pagelippia aff. gracillis h.b.k. leaf oil brazil @ 0.80%
mango
data pagemanuka var. eximium oil australia @ 1.80%
data pagemanuka var. scoparium oil new zealand @ 0.52%
data pagemarjoram oil spain @ 0.20%
data pagemarjoram oil sweet cuba @ 1.07%
data pagemarjoram oil sweet iran @ 0.20%
data pagemarjoram oil sweet turkey @ 0.09-0.11%
data pagemarjoram pot oil turkey @ 0.00-0.16%
matricaria chamomila l.
data pagemicrostrobos fitzgeraldii leaf oil australia @ 3.30%
data pagemicrostrobos niphophilus leaf oil australia @ 3.60%
data pagemyrrhinium atropurpureum schott leaf oil brazil @ 1.30%
data pagemyrtle oil @ 0.02%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 9.70%
data pagenepeta racemosa lam. oil iran @ 0.50%
data pagephoebe oil brazil @ 0.66%
data pagepine needle oil dwarf @ 0.24%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 18.60%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 1.80%
data pageprangos uloptera dc. oil iran @ 3.30%
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 4.40%
data pagesage oil reunion @ trace%
data pagesatureja viminea l. oil costa rica @ 0.50%
data pagesavory oil winter @ 0.70%
data pagesavory oleoresin winter @ 0.70%
data pagestachys recta l. oil serbia @ 0.90%
data pagesugandha kokila berry oil @ 0.50%
data pagesundacarpus amarus (blume) c.n. page leaf oil australia @ 0.20%
data pagetagete oil CO2 extract @ 2.42%
data pagetansy oil marocco @ 0.20%
data pagetea tree oil australia @ 0.15%
data pagethyme oil spain @ 0.28%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.10%
data pagevalerian root oil CO2 extract china @ 1.84%
data pagevassoura oil @ 3.50%
data pagewormwood oil annus france @ 0.00-0.49%
data pagewormwood oil italy @ 0.1%
data pagexylopia aromatica (lam.) mart. leaf oil cuba @ 64.40%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ 0.20%
data pagezanthoxylum ovalifolium l. leaf oil australia @ 4.40%



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