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 (IUPAC)
formula :C15 H24
pherobase floral:view
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 (IUPAC)
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
Used in citrus, lavender, bergamot, myrrh and neroli compositions.
Flavor:  woody green
A versatile, herbal note that can be used in apple, carrot, grapefruit, nutmeg, orange, mandarin, ginger and tea flavors.
Berje :Farnesene
IFF :Farnesene
1% PG/ETOH, NI, Kosher
Penta :farnesene
SAFC Global® :Farnesene
Kosher
Odor:  apple; lavender; lime; green; woody; herbaceous
Treatt :Farnescene
Natural
Odor:  Terpy, green, woody, weedy, herbal, lifting, pine and gin notes
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		citrus herbal lavender bergamot myrrh neroli green
Luebke, William tgsc, (1996)
odor sample from :Bedoukian Research, Inc.
odor description:
at 1.00 % in ethyl alcohol.  		Woody, green vegetative with a hint of a floral nuance. It has a slight gin herbal and citrus dry out
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
taste description:
at 10.00 - 20.00 ppm.  		Fresh green vegetative, with celery and hay nuances and somewhat fatty and tropical fruity afternotes
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :40.00 (μg/capita/day)
Structure Class :I
 
recommendation for farnesene fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for farnesene flavor 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
Flavornet :502-61-4
 
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
pubchem :21499-64-9
Cosmetics :
Cosmetic uses : masking agents
perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
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
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 apple ketalFL/FR
 bergoxaneFR
 bicyclogermacrene 
 bigarade oxideFR
 birch bud oilFL/FR
 bornyl salicylateFR
beta-cadinene 
 calamus rhizome oilFR
alpha-campholenic aldehydeFL/FR
(S)-(-)-citronellalFL/FR
 coriander leaf oilFL/FR
isocyclogeraniolFR
 decanal dimethyl acetalFL/FR
isodihydrolavandulalFL/FR
 dipenteneFL/FR
 dipentene terpene hydrocarbon byproductsFR
 elemi oilFL/FR
alpha-elemolFL/FR
beta-eudesmol 
isoeugenyl formateFL/FR
 fresh nitrileFR
 galbanum oilFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 green acetateFR
 herbal cyclohexaneFR
(E)-2-hexen-1-yl salicylateFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 jambu oleoresinFL
 karo karounde absoluteFR
 linaloolFL/FR
para-methyl hydratropaldehydeFL/FR
alpha-methylene citronellalFR
 neroli ketoneFL/FR
(Z)-6-nonen-1-alFL/FR
 nonisyl formateFR
 oakmoss absoluteFL/FR
beta-ocimeneFL/FR
 octanal propylene glycol acetalFL/FR
2-octanolFL/FR
3-octyl acetateFL/FR
 orange leaf absoluteFL/FR
 petitgrain heptaneFR
isopulegolFL/FR
 saffron pyranoneFR
 spruce needle absoluteFL/FR
 terpinyl propionateFL/FR
 tetrahydromyrcenyl acetateFR
alpha-thujene 
 valerian absoluteFL/FR
 valerian root oilFL/FR
 valerian root oil CO2 extract chinaFL/FR
potential uses :
 bergamot
 berry
 citrus
 gardenia
 gin
 green
 herbal
 juniperberry
 lavender
 melon
 myrrh
 neroli
 raspberry
 tea
 tropical
 woody
natural occurrence in :    note
 apple  
data pageartemisia campestris spp. glutinosa flower oil italy @ 5.00% S
 basil S
data pagebasil oil var. glabratum turkey @ 0.24% S
data pagebay leaf oil @ 0.00-0.59% S
data pagebergamot oil @ 0.000-trace% S
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.016% S
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.014% S
data pageblood orange oil italy @ 0.021% S
data pagecabocla flower oil brazil @ 3.00% S
data pagecajuput oil vietnam @ 0.3% S
data pagecalamus root oil @ 0.30% S
data pagecananga oil china @ 0.67% S
 carrot S
data pagecarrot seed oil @ 0.42% S
data pagechampaca absolute @ 1.60% S
data pagechampaca concrete @ 0.80% S
data pageclary sage oil spain @ 0.27% S
data pagecouroupita guianensis aubl. flower oil brazil @ 0.10% S
data pagecubeb oil @ trace% S
data pagefeverfew flower oil @ trace% S
data pagefleabane oil @ 0.20% S
 gardenia  
data pagegenet absolute @ 1.80% S
 ginger S
data pageginger root oil brazil @ 7.40% S
 grape  
 grapefruit S
data pagegrapefruit oil c.p. @ trace% S
data pagegrapefruit oil CO2 extract @ 0.09% S
data pageguava fruit oil reunion @ 0.20% S
data pagejasmin absolute china @ 0.16% S
data pagejasmin absolute concrete egypt @ 1.98% S
data pagejasmin absolute concrete india @ 0.01-0.06% S
data pagejasmin sambac absolute egypt @ 12.40% S
data pagelime oil distilled mexico @ 0.68% S
data pagelime oil distilled peru @ 2.07% S
data pagelime oil expressed florida @ 0.2% S
 lime peel S
 mandarin  
data pagemandarin oil italy @ 0.30% S
data pagemandarin oil uruguay @ 0.02-0.03% S
data pagemanuka var. scoparium oil new zealand @ 0.84% S
data pagemikan peel oil @ 0.53% S
 nutmeg S
 orange  
data pageorange peel oil sweet c.p. blond italy @ 0.009% S
data pageorange peel oil sweet c.p. blond italy @ 0.011% S
data pageorange peel oil sweet c.p. blond italy @ 0.011% S
data pageorange peel oil sweet c.p. blond italy @ 0.015% S
data pageorange peel oil sweet c.p. blond italy @ 0.025% S
data pageorthodon dianthera maxim. oil vietnam @ 0.60% S
 pear  
 pepper  
data pagepersea americana mill. fruit oil cuba @ 1.40% S
data pagepetitgrain mandarin oil @ 0.07% S
data pagepinus sylvestris l. needle oil estonia @ 0.80% S
data pageskimmia laureola oil @ 0.5% S
 tea  
data pagethyme oil wild or creeping france @ 0.22% S
data pagewitch hazel leaf oil @ 0.08% S
data pagewitch hazel leaf oil @ 1.47% S
data pageylang ylang oil @ 2.34% S
data pageylang ylang oil CO2 extract @ 14.63% S
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 10.69% S
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 15.73% S
data pageylang ylang oil III @ 23.75% S
data pageyuzu leaf oil @ 0.05% S

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