(-)-alpha-muurolene
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IUPAC name :(1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
InChI :InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1
InChIKey :QMAYBMKBYCGXDH-ZNMIVQPWBJ
SMILES :CC(C)[C@@H]1C\C=C(\C)[C@H]2CCC(\C)=C/[C@@H]12
cas number :10208-80-7
coe number :11011
fl. number :01.052
molar refractivity :66.64 ± 0.3 cm3
parachor :531.4 ± 6.0 cm3
index of refraction :1.483 ± 0.02
surface tension :27.0 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :26.42 ± 0.5 10-24cm3
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 %.  		woody
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91100 to 0.91700 @ 25.00 °C.
pounds per gallon - calc. : 7.580 to 7.630
refractive index :1.50200 to 1.50800 @ 20.00 °C.
boiling point : 271.00 to 272.00 °C. @ 760.00 mm Hg
flash point : 223.00  °F.  TCC  ( 106.11 °C. )
logP (o/w) : 6.56
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) :0.24 (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 (-)-alpha-muurolene usage levels up to :
  4.0000 % 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
 
 
 
 (1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
chemidplus :010208807
EPA Substance Registry Services :10208-80-7
references :
 (1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
fl. number :01.052
NIST Chemistry WebBook :10208807
pubchem :3731926
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2,8-dimethylene-5-isopropyl bicyclo(4.4.0)decane
(1S- (1alpha,4aalpha, 8aalpha))- 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene
(1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageangelica root oil @ 0.10%
data pageangelica seed oil @ 0.50%
data pagebay leaf oil @ 0.00-0.05%
bilberry - 0.005 mg/kg
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ trace%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ trace%
data pageblood orange oil italy @ 0.005%
data pagecalamus root oil @ 0.96%
data pagecananga leaf oil @ 1.1%
data pagecassinia laevis flower oil australia @ 7.70%
data pagecassinia laevis leaf oil australia @ 9.60%
data pagecedrela wood oil @ 1.00%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.20%
data pagecitronella oil ceylon @ 0.46%
data pagecitronella oil china @ 0.52%
data pagecitronella oil java @ 0.46%
data pagecitronella oil zimbabwe @ 0.89%
data pageclary sage oil spain @ 0.40%
data pagecroton cajucara benth. leaf oil brazil @ 1.20%
data pagecubeb oil @ 0.62%
data pagecypress oil @ trace-0.10%
data pageeucalyptus globulus bicostata oil @ 0.51%
data pageeucalyptus globulus maidenii f. muell oil @ 0.40%
data pageeucalyptus globulus oil @ 0.18%
data pagefleabane oil (conyza canadensis) @ 0.10%
data pagegeranium leaf oil india @ 0.89%
data pagegeranium petiole oil india @ 0.34%
data pagegeranium stem oil india @ 0.08%
data pageguava fruit oil reunion @ 0.40%
data pagehelichrysum italicum oil america @ 0.37%
data pagehinoki leaf oil @ 3.81%
data pagehinoki root oil @ 1.71%
data pagehinoki wood oil @ 5.78%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.20-0.50%
data pagejuniper berry oil @ 10.50%
data pagelabdanum oil @ 0.62%
data pagelaurel leaf oil turkey @ 0.60%
data pagelaurel leaf oil turkey @ trace%
data pagelime oil distilled mexico @ 0.03%
mango - up to 0.009 mg/kg
data pagemanuka var. scoparium oil new zealand @ 0.77%
data pagemelissa oil slovak republic @ 0.14%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 1.10%
data pagemyrrhinium atropurpureum schott leaf oil brazil @ 1.10%
nutmeg - trace amount
data pageorange peel oil sweet c.p. (citrus sinensis l. var. biondo comune) blond italy @ 0.004%
data pageorange peel oil sweet c.p. (citrus sinensis l. var. navelina) blond italy @ 0.005%
data pageorange peel oil sweet c.p. (citrus sinensis l. var. ovale) blond italy @ 0.005%
data pageorange peel oil sweet c.p. (citrus sinensis l. var. valencia late) blond italy @ 0.005%
data pageorange peel oil sweet c.p. (citrus sinensis l. var. washington navel) blond italy @ 0.004%
data pagepepper tree berry oil @ 1.48%
data pagepetitgrain combava oil @ trace%
data pagephlomis fruticosa l. flower oil greece @ 0.30%
data pagephoebe oil brazil @ 0.10%
data pagepimenta leaf oil @ 1.76%
data pagepine needle oil dwarf @ 1.87%
data pagepine needle oil scotch siberia @ 0.3-1.4%
data pagepinus sylvestris l. needle oil estonia @ 2.80%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.30%
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 1.00%
data pagerose oil otto bulgaria @ 0.08%
data pagerosemary oil CO2 extract @ 0.20%
data pagerosemary oil egypt @ 0.17%
data pagesantolina oil @ 0.21%
data pagesavin oil (juniperus phoenicea) @ 0.40%
data pagesnake root oil canada @ 0.10%
data pagetagete oil CO2 extract @ 0.29%
tea green tea - 7.90 mg/kg
data pagetea tree oil australia @ 0.26%
data pagethyme oil red spain @ 0.04-0.07%
data pagevassoura oil @ 0.90%
data pageyarrow oil @ trace%
data pageyarrow oil greece @ trace%
data pageylang ylang oil CO2 extract @ 0.03%
data pagezanthoxylum ovalifolium l. leaf oil australia @ 0.20%



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