farnesene
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IUPAC name :(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
InChI :InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChIKey :CXENHBSYCFFKJS-VDQVFBMKBY
SMILES :CC(=CCC/C(=C/C\C=C(/C)\C=C)/C)C
cas number :502-61-4
(EINECS) number :207-948-6
fema number :3839
coe number :10998
jecfa number :1343
fl. number :01.040
molar refractivity :70.63 ± 0.3 cm3
parachor :569.9 ± 4.0 cm3
index of refraction :1.470 ± 0.02
surface tension :25.7 ± 3.0 dyne/cm
density :0.807 ± 0.06 g/cm3
polarizability :28.00 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 204.3510600
formula :C15 H24
NMR Predictor :Predict
 
 
IUPAC name :(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
InChI :InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChIKey :CXENHBSYCFFKJS-VDQVFBMKBY
SMILES :CC(=CCC/C(=C/C\C=C(/C)\C=C)/C)C
cas number :21499-64-9
molar refractivity :70.63 ± 0.3 cm3
parachor :569.9 ± 4.0 cm3
index of refraction :1.470 ± 0.02
surface tension :25.7 ± 3.0 dyne/cm
density :0.807 ± 0.06 g/cm3
polarizability :28.00 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 204.3510600
formula :C15 H24
NMR Predictor :Predict
 
 
export tariff code :2901.29.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :FARNESENE
Kosher
Odor:  A woody, green vegetative odor with a lavender background.
Berje :Farnesene
IFF :Farnesene
1% PG/ETOH, NI, Kosher
Penta :farnesene
Sigma-Aldrich-SAFC :Farnesene
Kosher
Odor:  apple; lavender; lime; green; woody; herbaceous
organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  		citrus herbal lavender bergamot myrrh neroli green
odor sample from :Bedoukian Research, Inc.
properties :
appearence :pale yellow to yellow clear liquid
assay : 67.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83400 to 0.84500 @ 25.00 °C.
pounds per gallon - calc. : 6.940 to 7.031
refractive index :1.49000 to 1.50000 @ 20.00 °C.
boiling point : 260.00 to 262.00 °C. @ 760.00 mm Hg
vapor pressure :0.00800 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 6.62
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
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) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :40.00 (μg/capita/day)
 
recommendation for farnesene usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for farnesene usage levels up to :
  20.0000 ppm in the flavor.
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
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
(EINECS) number :207-948-6
chemidplus :000502614
EPA Substance Registry Services :502-61-4
 
 
 (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
chemidplus :21499-64-9
EPA Substance Registry Services :21499-64-9
references :
 (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
fl. number :01.040
jecfa number :1343
NIST Chemistry WebBook :2566441404
pubchem :153692
 (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
pubchem :21499-64-9
Cosmetics :
Cosmetic uses : masking agents
perfuming agents
other :
reference : Luebke, William tgsc, (1996)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E,E)-alpha-farnesene
alpha-farnesene
2,6,10-trimethyl dodeca-2,6,9,11-tetraene
(3E,6E)-3,7,11-trimethyl-1,3,6,10-dodecatetraene
(E,E)-3,7,11-trimethyl-1,3,6,10-dodecatetraene; 2,6,10-trimethyl-2,6,9,10-dodecatetrene
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 apple ketal
 bergoxane
 bicyclogermacrene
 bigarade oxide
 birch bud oil
 bornyl salicylate
beta-cadinene
 calamus rhizome oil
alpha-campholenic aldehyde
(S)-(-)-citronellal
 coriander leaf oil
isocyclogeraniol
 decanal dimethyl acetal
isodihydrolavandulal
 dipentene
 dipentene terpene hydrocarbon byproducts
 elemi oil
alpha-elemol
beta-eudesmol
isoeugenyl formate
 fresh nitrile
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 green acetate
 herbal cyclohexane
(E)-2-hexen-1-yl salicylate
6-hydroxydihydrotheaspirane (mixture of isomers)
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 jambu oleoresin
 karo karounde absolute
 linalool
para-methyl hydratropaldehyde
alpha-methylene citronellal
 neroli ketone
(Z)-6-nonen-1-al
 nonisyl formate
 oakmoss absolute
beta-ocimene
 octanal propylene glycol acetal
2-octanol
3-octyl acetate
 orange leaf absolute
 petitgrain heptane
isopulegol
 saffron pyranone
 spruce needle absolute
 terpinyl propionate
 tetrahydromyrcenyl acetate
alpha-thujene
 valerian absolute
 valerian root oil
 valerian root oil CO2 extract china
(odor and/or flavor) used in :
 bergamot
 berry
 citrus
 gardenia
 gin
 green
 herbal
 juniperberry
 lavender
 melon
 myrrh
 neroli
 raspberry
 tea
 tropical
natural occurrence in :
apple
data pageartemisia campestris spp. glutinosa flower oil italy @ 5.00%
basil
data pagebasil oil var. glabratum turkey @ 0.24%
data pagebay leaf oil @ 0.00-0.59%
data pagebergamot oil @ 0.000-trace%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.016%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.014%
data pageblood orange oil italy @ 0.021%
data pagecabocla flower oil brazil @ 3.00%
data pagecajuput oil vietnam @ 0.3%
data pagecalamus root oil @ 0.30%
data pagecananga oil china @ 0.67%
carrot
data pagecarrot seed oil @ 0.42%
data pagechampaca absolute @ 1.60%
data pagechampaca concrete @ 0.80%
data pageclary sage oil spain @ 0.27%
data pagecouroupita guianensis aubl. flower oil brazil @ 0.10%
data pagecubeb oil @ trace%
data pagefeverfew flower oil @ trace%
data pagefleabane oil @ 0.20%
gardenia
data pagegenet absolute @ 1.80%
ginger
data pageginger root oil brazil @ 7.40%
grape
grapefruit
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil CO2 extract @ 0.09%
data pageguava fruit oil reunion @ 0.20%
data pagejasmin absolute china @ 0.16%
data pagejasmin absolute concrete egypt @ 1.98%
data pagejasmin absolute concrete india @ 0.01-0.06%
data pagejasmin sambac absolute egypt @ 12.40%
data pagelime oil distilled mexico @ 0.68%
data pagelime oil distilled peru @ 2.07%
data pagelime oil expressed florida @ 0.2%
lime peel
mandarin
data pagemandarin oil italy @ 0.30%
data pagemandarin oil uruguay @ 0.02-0.03%
data pagemanuka var. scoparium oil new zealand @ 0.84%
data pagemikan peel oil @ 0.53%
nutmeg
orange
data pageorange peel oil sweet c.p. blond italy @ 0.009%
data pageorange peel oil sweet c.p. blond italy @ 0.011%
data pageorange peel oil sweet c.p. blond italy @ 0.011%
data pageorange peel oil sweet c.p. blond italy @ 0.015%
data pageorange peel oil sweet c.p. blond italy @ 0.025%
data pageorthodon dianthera maxim. oil vietnam @ 0.60%
pear
pepper
data pagepersea americana mill. fruit oil cuba @ 1.40%
data pagepetitgrain mandarin oil @ 0.07%
data pagepinus sylvestris l. needle oil estonia @ 0.80%
data pageskimmia laureola oil @ 0.5%
tea
data pagethyme oil wild or creeping france @ 0.22%
data pagewitch hazel leaf oil @ 0.08%
data pagewitch hazel leaf oil @ 1.47%
data pageylang ylang oil @ 2.34%
data pageylang ylang oil CO2 extract @ 14.63%
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 10.69%
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 15.73%
data pageylang ylang oil III @ 23.75%
data pageyuzu leaf oil @ 0.05%



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