tetrahydrogeranyl acetone
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :6,10-dimethylundecan-2-one
InChI :InChI=1/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3
InChIKey :RBGLEUBCAJNCTR-UHFFFAOYAP
SMILES :CC(C)CCCC(C)CCCC(=O)C
cas number :1604-34-8
(EINECS) number :216-509-8
coe number :11068
fl. number :07.157
molar refractivity :62.22 ± 0.3 cm3
parachor :549.1 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.823 ± 0.06 g/cm3
polarizability :24.66 ± 0.5 10-24cm3
XlogP : 5.40
molecular weight : 198.3449400 (IUPAC)
formula :C13 H26 O
NMR Predictor :Predict
 
 
export tariff code :2914.23.0000
fda reg :unspecified
organoleptics :
odor description:
dry musty
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82600 to 0.83000 @ 25.00 °C.
pounds per gallon - calc. : 6.873 to 6.906
refractive index :1.43400 to 1.43700 @ 20.00 °C.
boiling point : 231.00 to 233.00 °C. @ 760.00 mm Hg
flash point : 169.00  °F.  TCC  ( 76.11 °C. )
logP (o/w) : 4.79
safety :
Oral Toxicity(LD50) : 
  Not determined
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) :0.085 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :1500 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
 
 
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) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
Processed fruit (04.1) : 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 2.0000010.00000
Bakery wares (07.0) : 5.0000025.00000
Meat and meat products, including poultry and game (08.0) : 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 1.000005.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0) : 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 4.0000020.00000
Ready-to-eat savouries (15.0) : --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 2.0000010.00000
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
 
 
 
 
6,10-dimethylundecan-2-one
(EINECS) number :216-509-8
chemidplus :001604348
EPA Substance Registry Services :1604-34-8
dtp/nci :15338
references :
 
6,10-dimethylundecan-2-one
fl. number :07.157
NIST Chemistry WebBook :2822253875
pubchem :672651
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
6,10-dimethyl undecan-2-one
6,10-dimethyl-2-undecanone
6,10-dimethylundecan-2-one
 hexahydropseudoionone
soluble in :
 ethyl alcohol, 6 parts of 70%
insoluble in :
 water
potential blenders :    note
 acetanisoleFL/FR
 acetyl methyl anthranilateFL/FR
 amber formateFR
 ambrette seed oilFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzophenoneFL/FR
isobutyl benzoateFL/FR
 cherry oxyacetateFL/FR
 cinnamyl alcoholFL/FR
(±)-citronellolFL/FR
 cocoa butenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cyclohexadecanoneFR
 cyclohexyl acetic acidFL
 dimethyl alpha-iononeFR
 dimethyl anthranilateFL/FR
 ethyl benzoateFL/FR
 ethyl cinnamateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethylene brassylateFL/FR
 geranyl phenyl acetateFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl alcoholFL/FR
 hexanal dimethyl acetalFL
(E)-beta-iononeFL/FR
pseudoiononeFL
alpha-ironeFL/FR
 labdanum absolute resinFL/FR
 labdanum resinFR
2'-methoxyacetophenoneFL/FR
2'-methyl acetophenoneFL/FR
 methyl alpha-iononeFL/FR
para-methyl anisoleFL/FR
 methyl benzoxoleFL/FR
6-methyl coumarinFL
para-methyl hydratropaldehydeFL/FR
iso-alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl ionyl acetateFL/FR
 mint lactoneFL/FR
dextro,laevo-musconeFL/FR
normusconeFR
 musk amberolFR
 musk indaneFR
 musk tetralinFR
beta-naphthyl ethyl etherFL/FR
 orangeflower water absoluteFL/FR
 orris root resinoidFL/FR
 peach pivalateFR
omega-pentadecalactoneFL/FR
 peru balsamFL
 peru balsam oilFL/FR
 phenethyl butyrateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phthalideFL/FR
 powdery ketoneFL
isopropyl phenyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
(+)-alpha-santalyl acetateFL/FR
 thioguaiacolFL
 timber propanolFR
 tolualdehydes (mixed o/m/p)FL/FR
2,3,5-trimethyl pyrazineFL
2,5,9-trimethyl-4,9-decadien-1-alFR
 vanillic acidFL/FR
 vanillyl acetateFL/FR
 vanillylidene acetoneFL/FR
 vetiveryl acetateFL/FR
 woody epoxideFR
natural occurrence in :    note
 found in nature  

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