beta-cubebene

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InChI :

InChI=1/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1

InChIKey :

FSRZGYRCMPZNJF-KHMAMNHCBO

SMILES :

C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C

cas number :	13744-15-5
coe number :	10989
fl. number :	01.030
molar refractivity :	64.80 ± 0.4 cm3
parachor :	513.8 ± 6.0 cm3
index of refraction :	1.505 ± 0.03
surface tension :	30.6 ± 5.0 dyne/cm
density :	0.93 ± 0.1 g/cm3
polarizability :	25.69 ± 0.5 10-24cm3
xlogp :	4.90
molecular weight :	204.3510600
formula :	C15 H24

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor strength :

medium

odor description :
at 100.00 %.

citrus fruity

properties :

appearence :

colorless to pale yellow clear liquid

assay :

95.00 - 100.00 %

Food Chemicals Codex Listed :

boiling point :

266.00 - 267.00 °C. @ 760.00 mm Hg

logp :

6.15

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

235.00 °F. TCC ( 112.78 °C. )

recommendation for beta-cubebene usage levels up to :

3.0000 % in the fragrance concentrate.

safety links :

chemidplus :

013744155

epa-srs :

13744-15-5

other :

references :

pubchem :

670032

synonyms :
(-)-beta-	cubebene
6-epi-beta-	cubebene
beta-	cubebene
10-	methyl-4-methylene-7-isopropyl tricyclo(4.4.0.0(1.5))decane
(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-	octahydro-7-methyl-3-methylene-4-(1-methyl ethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzene
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	allamanda cathartica linn. flower oil brazil @ 0.60%
data page	calamus leaf oil @ 0.32%
data page	calamus rhizome oil @ 0.14%
data page	cananga leaf oil @ 0.7%
data page	carrot leaf oil @ 12.72%
data page	cascarilla bark oil @ 0.21%
data page	cedrela wood oil @ 3.20%
data page	citronella oil ceylon @ 3.77%
data page	citronella oil china @ 1.76%
data page	citronella oil java @ 2.25%
data page	clary sage oil greece @ 0.10%
data page	costmary oil @ 4.72%
	cubeb oil
data page	cubeb oil @ 4.39%
data page	curry wood leaf oil australia @ 0.20%
data page	eucalyptus globulus fruit oil @ trace%
data page	eucalyptus globulus oil pakistan @ 0.10%
data page	fleabane oil @ 0.10%
data page	grapefruit oil c.p. @ 0.04%
data page	grapefruit oil CO2 extract @ 0.36%
data page	hinoki leaf oil @ 0.48%
data page	hyptis spicigera lam. oil mali @ trace-0.20%
data page	hyptis suaveolens (l.) poit. oil mali @ trace-0.20%
data page	labdanum oil @ 0.19%
data page	lavender oil spike spain @ 0.02%
data page	lemon verbena oil morocco @ 0.6%
data page	lime oil expressed florida @ trace%
data page	litsea cubeba oil china @ 0.24%
data page	lovage root oil @ 0.87%
data page	mandarin oil uruguay @ 0.01%
data page	marsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.50%
data page	nutmeg oil hydrodistilled india @ 0.1%
data page	orange peel oil bitter china @ 0.36%
data page	orange peel oil bitter italy @ 0.05%
data page	persea americana mill. fruit oil cuba @ 3.20%
data page	phlomis fruticosa l. flower oil greece @ 0.80%
data page	polyalthia australis (benth.) jessup leaf oil australia @ 0.30%
data page	prangos uloptera dc. oil iran @ 1.60%
data page	protium heptaphyllum (aubl.) march leaf oil brazil @ 0.80%
data page	stachys recta l. oil serbia @ 0.10%
data page	sundacarpus amarus (blume) c.n. page leaf oil australia @ 0.10%
data page	wormwood flower oil annus america @ 0.94%
data page	wormwood leaf oil annus america @ 1.80-4.43%
data page	wormwood oil annus france @ 0.09-2.17%
data page	wormwood oil annus vietnam @ 5.59%
data page	yarrow oil greece @ 0.10%
data page	ylang ylang oil @ 0.58%
data page	ylang ylang oil CO2 extract @ 0.60%

information only - not sold by The Good Scents Company.

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