beta-cubebene
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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 (IUPAC)
formula :C15 H24
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		citrus fruity
properties :
appearence :colorless to pale yellow solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 59.00 to 61.00 °C. @ 760.00 mm Hg
boiling point : 283.00 to 285.00 °C. @ 760.00 mm Hg
flash point : 235.00  °F.  TCC  ( 112.78 °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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3700 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for beta-cubebene usage levels up to :
  3.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : --
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
chemidplus :013744155
EPA Substance Registry Services :13744-15-5
references :
fl. number :01.030
NIST Chemistry WebBook :13744155
pubchem :670032
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(-)-beta-cubebene
6-epi-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 pageallamanda cathartica linn. flower oil brazil @ 0.60%
data pagecalamus leaf oil @ 0.32%
data pagecalamus rhizome oil @ 0.14%
data pagecananga leaf oil @ 0.7%
data pagecarrot leaf oil @ 12.72%
data pagecascarilla bark oil @ 0.21%
data pagecedrela wood oil @ 3.20%
data pagecitronella oil ceylon @ 3.77%
data pagecitronella oil china @ 1.76%
data pagecitronella oil java @ 2.25%
data pageclary sage oil greece @ 0.10%
data pagecostmary oil @ 4.72%
data pagecubeb oil @ 4.39%
data pagecurry wood leaf oil australia @ 0.20%
data pageeucalyptus globulus fruit oil @ trace%
data pageeucalyptus globulus oil pakistan @ 0.10%
data pagefleabane oil @ 0.10%
grapefruit juice - 0.08 mg/kg
data pagegrapefruit oil c.p. @ 0.04%
data pagegrapefruit oil CO2 extract @ 0.36%
guava fruit - up to 0.08 mg/kg
data pagehinoki leaf oil @ 0.48%
data pagehyptis spicigera lam. oil mali @ trace-0.20%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.20%
data pagelabdanum oil @ 0.19%
data pagelavender oil spike spain @ 0.02%
data pagelemon verbena oil morocco @ 0.6%
data pagelime oil expressed florida @ trace%
data pagelitsea cubeba oil china @ 0.24%
data pagelovage root oil @ 0.87%
mace - trace amount
data pagemandarin oil uruguay @ 0.01%
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.50%
data pagenutmeg oil hydrodistilled india @ 0.1%
data pageorange peel oil bitter china @ 0.36%
data pageorange peel oil bitter italy @ 0.05%
data pagepersea americana mill. fruit oil cuba @ 3.20%
data pagephlomis fruticosa l. flower oil greece @ 0.80%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 0.30%
data pageprangos uloptera dc. oil iran @ 1.60%
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 0.80%
data pagestachys recta l. oil serbia @ 0.10%
data pagesundacarpus amarus (blume) c.n. page leaf oil australia @ 0.10%
data pagewormwood flower oil annus america @ 0.94%
data pagewormwood leaf oil annus america @ 1.80-4.43%
data pagewormwood oil annus france @ 0.09-2.17%
data pagewormwood oil annus vietnam @ 5.59%
data pageyarrow oil greece @ 0.10%
data pageylang ylang oil @ 0.58%
data pageylang ylang oil CO2 extract @ 0.60%



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