(E)-geranyl linalool
 
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IUPAC name :(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
InChI :InChI=1/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+
InChIKey :IQDXAJNQKSIPGB-HQSZAHFGBI
SMILES :CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C
(EINECS) number :214-201-8
cas number :1113-21-9
fl. number :02.150
molar refractivity :95.63 ± 0.3 cm3
parachor :778.8 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :37.91 ± 0.5 10-24cm3
xlogp : 4.60
molecular weight : 290.4833600
formula :C20 H34 O
 
 
export tariff code :2905.22.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :GERANYL LINALOOL
 ≥92.0%, Kosher
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
mild floral rose balsam

properties :
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.87300 - 0.88300 @ 25.00 °C.
pounds per gallon - calc. : 7.264 to 7.347
refractive index :1.48200 - 1.49200 @ 20.00 °C.
boiling point : 386.00 - 389.00 °C. @ 760.00 mm Hg
logp : 7.35

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5000.00  mg/kg    (Moreno, 1982i)
Oral-Mouse   [sex: M,F]  14632.00  mg/kg    (Hoffman-LaRoche, Inc., 1967a)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.026 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3700 (μg/person/day)
Threshold of concern :540 (μg/person/day)
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for (E)-geranyl linalool usage levels up to :
  8.0000 % 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.
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 links :
(EINECS) number :214-201-8
rtecs :MM0335000 for 1113-21-9
chemidplus :001113219
epa-srs :1113-21-9
  

other :
 

references :
fl. number :02.150
pubchem :669787
  
synonyms :
 geranyl linalool
(E)-geranyl linalool
(E)-neryl linalool
(E,E)-3,7,11,15-tetramethyl hexadeca-1,6,10,14-tetraen-3-ol
(6E,10E)-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl isoeugenol
isoamyl undecylenate
para-anisyl alcohol
 benzophenone
 benzyl alcohol
 benzyl cinnamate
 benzyl propionate
 butyl benzyl ether
 cananga oil
 cananga oil china
 cinnamyl cinnamate
 citronellyl acetone
 citronellyl propionate
 cyclohexyl crotonate
 cyclohexyl salicylate
(E)-alpha-damascone
(Z)-alpha-damascone
gamma-damascone
isodecanal
(Z)-4-decen-1-yl acetate
 dihydrocarvyl acetate
 dihydrogeranyl linalool
 ethyl phenyl acetate
(E)-ethyl tiglate
 farnesyl acetate
 floral pyran
 floral undecenone
 geranyl acetate
 geranyl methyl tiglate
 globulol
 hawthorn ethanol
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl phenyl acetate
beta-ionol
pseudoionone
 methyl 10-undecenal
alpha-methyl cinnamic alcohol
 methyl hydrocinnamate
2-methyl octanal
 musk acetate
 neryl acetate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl cinnamate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenoxyethanol
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
3-phenyl propyl propionate
1-phenyl-1-propanol
4-phenyl-3-buten-2-ol
(Z,E)-phytol
 rose acetate
laevo-rose oxide
 sandal cyclopropane
 strawberry glycidate 2
 styralyl propionate
(E)-2-undecen-1-ol
2-undecen-1-ol
(odor and/or flavor) used in :
 amber
 balsam
 fixer
 floral
 freesia
 hydrangea
 musk
 rose
natural occurrence in :
data pagechampaca concrete @ 0.30%
data pagejasmin absolute concrete india @ 2.80-4.35%
data pagewitch hazel leaf oil @ 0.47%



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