beta-selinene 17066-67-0

beta-selinene

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IUPAC name :

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

InChI :

InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1

InChIKey :

YOVSPTNQHMDJAG-ZNMIVQPWBZ

SMILES :

CC(=C)[C@H]1CC[C@@]2(CCCC(=C)[C@H]2C1)C

cas number :	17066-67-0
molar refractivity :	66.45 ± 0.4 cm3
parachor :	534.8 ± 6.0 cm3
index of refraction :	1.488 ± 0.03
surface tension :	29.0 ± 5.0 dyne/cm
density :	0.88 ± 0.1 g/cm3
polarizability :	26.34 ± 0.5 10-24cm3
xlogp :	4.50
molecular weight :	204.3510600
formula :	C15 H24

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

medium

odor description :
at 100.00 %.

herbal

properties :

assay :

94.00 - 100.00 %

Food Chemicals Codex Listed :

boiling point :

260.00 - 263.00 °C. @ 760.00 mm Hg

logp :

6.46

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

216.00 °F. TCC ( 102.22 °C. )

recommendation for beta-selinene usage levels up to :

3.0000 % in the fragrance concentrate.

safety links :

chemidplus :

017066670

epa-srs :

17066-67-0

other :

references :

pubchem :

170731

synonyms :
(4aR-(4aalpha,7alpha,8abeta))-	decahydro-4a-methyl-1-methylene-7-(1-methyl ethenyl) naphthalene
	eudesma-4(14),11-diene
beta-	eudesmene
	selina-4(14),11-diene
beta-	selinene
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	artichoke
	celery
natural occurrence in :
data page	ajowan seed oil turkey @ trace%
data page	angelica seed oil CO2 extract @ 3.50%
data page	baccharis coridifolia oil argentina @ 8.20%
data page	basil flower oil sweet @ 2.51%
data page	basil leaf oil sweet (ocimum basilicum) @ 0.54%
data page	bay leaf oil @ 0.00-0.33%
data page	cajuput oil @ 0.9%
data page	cajuput oil vietnam @ 1.5%
data page	callitris columellaris wood oil australia @ 0.90%
data page	callitris glaucophylla wood oil australia @ 0.30%
data page	callitris intratropica wood oil australia @ 2.20%
data page	carrot seed oil @ 0.23%
data page	carrot seed oil spain @ 0.25-1.99%
data page	cascarilla bark oil @ 0.58%
data page	cassinia laevis flower oil australia @ 2.20%
data page	cassinia laevis leaf oil australia @ 3.50%
data page	cedarwood oil atlanta @ 0.80%
data page	cedarwood oil china @ 0.20%
data page	cedarwood oil virginia @ 0.10%
data page	celery leaf oil @ 3.70%
data page	celery seed oil CO2 extract india @ 17.59%
data page	celery seed oil egypt @ 8.10%
data page	celery seed oil india @ 20.76%
data page	chamomile flower oil germany @ trace%
data page	chamomile oil morocco @ 0.30%
data page	curcuma amada roxb. rhizome oil india @ 0.60%
data page	curry wood leaf oil australia @ 0.40%
data page	cypress cone oil egypt @ trace%
data page	erigeron graveolens l. oil iran @ 1.60%
data page	eucalyptus globulus oil @ 0.19%
data page	eucalyptus globulus pseudoglobulus oil @ 0.28%
data page	geranium rose-scented oil (pelargonium spp.) cuba @ 0.30%
data page	ginger root oil CO2 extract @ trace%
data page	kachur oil @ 1.00%
data page	laurel leaf oil turkey @ 0.30%
data page	lime oil CO2 extract mexico @ 3.15%
data page	lime oil distilled mexico @ 0.01%
data page	lovage root oil @ 5.92%
data page	mandarin oil italy @ trace%
data page	manuka var. eximium oil australia @ 0.30%
data page	manuka var. scoparium oil new zealand @ 3.67%
data page	mikan peel oil @ trace%
data page	pepper oil black india @ 0.10%
data page	petitgrain grapefruit oil @ 1.20%
data page	petitgrain lime oil @ 0.10%
data page	phoebe oil brazil @ 1.15%
data page	pimento berry oil @ trace%
data page	pimento berry oil CO2 extract jamaica @ trace%
data page	polyalthia australis (benth.) jessup leaf oil australia @ 1.50%
data page	prangos uloptera dc. oil iran @ 1.70%
data page	protium heptaphyllum (aubl.) march leaf oil brazil @ 2.50%
data page	rose oil otto bulgaria @ 0.53%
data page	sage oil reunion @ trace%
data page	savin oil @ 0.41%
data page	sugandha kokila berry oil @ 1.00%
data page	sundacarpus amarus (blume) c.n. page leaf oil australia @ 67.70%
data page	zanthoxylum nitidum l. leaf oil australia @ 3.80%

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