ocimenol
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IUPAC name :(5E)-2,6-dimethylocta-5,7-dien-2-ol
InChI :InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+
InChIKey :IJFKZRMIRAVXRK-VQHVLOKHBL
SMILES :C/C(=C\CCC(C)(C)O)/C=C
cas number :5986-38-9
(EINECS) number :227-806-7
fl. number :02.191
molar refractivity :49.50 ± 0.3 cm3
parachor :414.2 ± 4.0 cm3
index of refraction :1.463 ± 0.02
surface tension :28.2 ± 3.0 dyne/cm
density :0.858 ± 0.06 g/cm3
polarizability :19.62 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		fresh citrus lemon lime cologne sweet mace
properties :
appearence :colorless clear oily liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87100 to 0.87700 @ 25.00 °C.
pounds per gallon - calc. : 7.248 to 7.298
specific gravity :0.87100 to 0.87900 @ 20.00 °C.
pounds per gallon - calc. : 7.256 to 7.323
refractive index :1.48000 to 1.48600 @ 20.00 °C.
boiling point : 228.00 to 229.00 °C. @ 760.00 mm Hg
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 2.81
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    1700.00  mg/kg
(Wohl, 1974f)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for ocimenol fragrance usage levels up to :
  25.0000 % 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) : 10.0000050.00000
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
(5E)-2,6-dimethylocta-5,7-dien-2-ol
(EINECS) number :227-806-7
chemidplus :005986389
EPA Substance Registry Services :5986-38-9
references :
 
(5E)-2,6-dimethylocta-5,7-dien-2-ol
fl. number :02.191
NIST Chemistry WebBook :981753295
pubchem :164971
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
(5E)-2,6-dimethyl octa-5,7-dien-2-ol
2,6-dimethyl-5,7-octadien-2-ol
(5E)-2,6-dimethylocta-5,7-dien-2-ol
1,1,5-trimethyl-4,6-heptadienol
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde citronellyl methyl acetalFR
 aldehydic nitrileFR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 amyl heptanoateFL/FR
beta-bisabololFL/FR
 cassis bud oilFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citral ethylene glycol acetalFR
 citral propylene glycol acetalFL/FR
 citronella oilFL/FR
 citronellyl ethyl etherFR
 citronellyl nitrileFR
 citrus nitrileFR
 citrus ocimenolFR
isodecanalFL/FR
 dihydro-alpha-terpinyl acetateFR
 dihydromyrcenolFL/FR
 dihydromyrcenyl acetateFR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
1,3-dimethoxybenzeneFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
 elemi gumFL/FR
 elemi oilFL/FR
 elemi resinoidFL/FR
 fenchyl alcoholFL/FR
(Z)-geranyl ethyl etherFR
homogeranyl nitrileFR
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
 kauri-copal leaf oil 
 kauri-copal oil 
 lemon hexadieneFL/FR
 lemon oilFL/FR
 lemon oil c.p. furo coumarin freeFL/FR
 lemon oil distilledFL/FR
 lemon oil expressedFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 lime octadienalFR
 lime octenolFL/FR
 lime oilFL/FR
 lime oil distilled peruFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 lime pyranFR
 litsea cubeba oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 mace absoluteFL/FR
 mace oilFL/FR
 mace oleoresinFL
4-mercapto-4-methyl-2-pentanolFL
1-methyl cyclohexene 
 methyl heptenoneFL/FR
2-methyl undecanal dimethyl acetalFR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
 neroli ketoneFL/FR
 nutmeg extract CO2 west indianFL/FR
 nutmeg oilFL/FR
 nutmeg oil terpenelessFL/FR
 nutmeg oleoresinFL
 ocimen-1-yl acetateFR
 petitgrain combava oilCS
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl amyl alcoholFL/FR
 tea tree oilFR
alpha-terpineneFL/FR
gamma-terpineneFL/FR
alpha-terpinyl acetateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrocitralFL/FR
 tetrahydromyrcenolFR
 thioterpenesFL
 trimethyl cyclohexeneFR
 verbena oilFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
potential uses :
 citrus
 lemon
 lime
 mace
natural occurrence in :    note
 apricot - 0.04 mg/kg S
 grapefruit juice - 0.01 mg/kg  

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