(-)-alpha-cubebene 17699-14-8

(-)-alpha-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/h7,9,11-14H,5-6,8H2,1-4H3

InChIKey :

XUEHVOLRMXNRKQ-UHFFFAOYAN

SMILES :

CC1CCC(C2C13C2C(=CC3)C)C(C)C

cas number :	17699-14-8
molar refractivity :	64.94 ± 0.4 cm3
parachor :	512.3 ± 6.0 cm3
index of refraction :	1.512 ± 0.03
surface tension :	31.4 ± 5.0 dyne/cm
density :	0.94 ± 0.1 g/cm3
polarizability :	25.74 ± 0.5 10-24cm3
XlogP :	4.80
molecular weight :	204.3510600
formula :	C15 H24
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

herbal

odor strength :

medium

odor description :
at 100.00 %.

herbal waxy

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.88900 @ 25.00 °C.

refractive index :

1.48200 @ 20.00 °C.

boiling point :

245.00 to 246.00 °C. @ 760.00 mm Hg

vapor pressure :

0.01400 mm/Hg @ 25.00 °C.

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

6.15

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for (-)-alpha-cubebene usage levels up to :

2.0000 % in the fragrance concentrate.

safety references :

EPI System :

view

chemidplus :

017699148

EPA Substance Registry Services :

17699-14-8

references :

NIST Chemistry WebBook :

3403226674

pubchem :

663464

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
alpha-	cubebene
(3aS- (3aalpha,3bbeta, 4beta,7alpha,7aS*))- 3a,3b,4,5,6,7-	hexahydro-3,7-dimethyl-4-(1-methyl ethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzene
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	floral
	herbal
	waxy
natural occurrence in :
data page	allamanda cathartica linn. flower oil brazil @ 0.10%
data page	angelica seed oil CO2 extract @ trace%
data page	ayou wood oil @ 1.40%
data page	basil flower oil sweet @ 0.77%
data page	basil leaf oil sweet (ocimum basilicum) @ 0.66%
data page	bay leaf oil @ 0.00-<0.01%
data page	cascarilla bark oil @ 0.04%
data page	cedrela wood oil @ 8.00%
data page	chamomile oil morocco @ 0.30%
data page	clary sage oil france @ trace%
data page	clary sage oil spain @ 0.36%
data page	clove bud oil @ 0.66%
data page	clove leaf oil @ 0.08%
data page	clove stem oil india @ 0.49%
data page	croton cajucara benth. leaf oil brazil @ trace%
data page	croton flavens l. (welensali) leaf oil curacao @ 0.20%
data page	cubeb oil @ 1.65%
data page	curry wood leaf oil australia @ 0.20%
data page	cypress oil @ 0.07-0.15%
data page	dill weed oil cuba @ trace%
data page	eucalyptus globulus bud oil @ 0.27%
data page	eucalyptus globulus fruit oil @ 0.34%
data page	eucalyptus globulus oil @ 0.25%
data page	eucalyptus globulus oil rwanda @ 0.03%
data page	galangal root oil @ 0.04%
data page	geranium petiole oil india @ 0.10%
data page	geranium rose-scented oil (pelargonium spp.) cuba @ 0.10%
data page	geranium stem oil india @ 0.29%
data page	guava fruit oil reunion @ 0.10%
data page	hyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data page	juniper berry oil @ 0.90%
data page	juniper branch oil @ 0.50%
data page	labdanum oil @ 0.30%
data page	lime oil expressed florida @ trace%
data page	manuka var. scoparium oil new zealand @ 3.95%
data page	marsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.20%
data page	melissa oil slovak republic @ 0.26%
data page	mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.10%
data page	orange peel oil bitter china @ trace%
data page	pepper oil black india @ 0.10%
data page	pepper tree berry oil @ 0.13%
data page	pepper tree leaf oil @ 0.01%
data page	peppermint oil CO2 extract @ trace%
data page	phlomis fruticosa l. flower oil greece @ 1.90%
data page	phoebe oil brazil @ 0.42%
data page	pine needle oil dwarf @ 0.33%
data page	piper cernum vell. var. cernum yuncker leaf oil brazil @ 0.30%
data page	polyalthia australis (benth.) jessup leaf oil australia @ 0.30%
data page	rosemary oil CO2 extract @ 0.43%
data page	sage oil spain @ 0.0-0.2%
data page	santolina oil @ 0.66%
data page	sugandha kokila berry oil @ 0.70%
data page	sundacarpus amarus (blume) c.n. page leaf oil australia @ trace%
data page	tea tree oil australia @ 0.09%
data page	wormwood oil annus vietnam @ 0.97%
data page	zanthoxylum nitidum l. leaf oil australia @ 0.70%

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