methyl undecylenate
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Notes :
good for fresh effects in citrus.
 
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IUPAC name :methyl (E)-undec-9-enoate
InChI :InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+
InChIKey :RHRCWCJKYPOGNT-ONEGZZNKBV
SMILES :C\C=C\CCCCCCCC(=O)OC
cas number :5760-50-9
(EINECS) number :227-279-3
fema number :2750
coe number :2101
jecfa number :342
fl. number :09.236
molar refractivity :59.47 ± 0.3 cm3
parachor :521.5 ± 4.0 cm3
index of refraction :1.444 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.886 ± 0.06 g/cm3
polarizability :23.57 ± 0.5 10-24cm3
XlogP : 4.60
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Penta :methyl undecylenate natural
organoleptics :
odor type :earthy
odor strength :medium
odor description:
at 100.00 %.  		earthy fungal rose fatty floral
Luebke, William tgsc, (1998)
odor sample from :CA Aromatics Company Inc.
substantivity :24  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87900 to 0.88900 @ 25.00 °C.
pounds per gallon - calc. : 7.314 to 7.397
refractive index :1.42500 to 1.44500 @ 20.00 °C.
optical rotation :-2.00 to +2.00
melting point : -28.00 to -27.00 °C. @ 760.00 mm Hg
boiling point : 247.00 to 248.00 °C. @ 760.00 mm Hg
boiling point : 159.00 to 160.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.01900 mm/Hg @ 25.00 °C.
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.60
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 12 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat   [sex: M]  3000.00  mg/kg
(Moreno, 1977b)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :34.00 (μg/capita/day)
 
recommendation for methyl undecylenate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for methyl undecylenate flavor usage levels up to :
  25.0000 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...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
methyl (E)-undec-9-enoate
(EINECS) number :227-279-3
chemidplus :005760509
EPA Substance Registry Services :5760-50-9
references :
 
methyl (E)-undec-9-enoate
fl. number :09.236
jecfa number :342
pubchem :204075
Cosmetics :
Cosmetic uses : deodorants
perfuming agents
other :
CosIng :cosmetic data
 C of A
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 methyl (E)-undec-9-enoate
 methyl 9-undecenoate
 methyl 9-undecylenate
 methyl undec-9-enoate
9-undecenoic acid methyl ester
Similar Products:    note
 allyl undecylenate
 amyl undecylenate
isoamyl undecylenate
 butyl undecylenate
isobutyl undecylenate
para-cresyl 10-undecylenate
 ethyl undecylenate
 geranyl undecylenate
 heptyl undecylenate
isopropyl undecylenate
soluble in :
 alcohol
 dipropylene glycol
 paraffin oil
insoluble in :
 water
potential blenders :    note
 algae absoluteFR
 allyl amyl glycolateFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl benzoateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
(E)-benzyl tiglateFL/FR
 berry furanoneFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
 butyl propionateFL/FR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedarleaf oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 costus root oilFL
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 cuminaldehydeFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 davana oilFL/FR
 decanalFL/FR
 decanolFL/FR
9-decen-1-alFL/FR
9-decen-1-olFL/FR
1-decen-3-olFL/FR
 decyl acetateFL/FR
 dehydrolinaloolFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl hydroquinoneFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 earthy acetalFL/FR
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
 heptanal cyclic acetal with glycerolFL/FR
 heptanal glyceryl acetalFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 immortelle absoluteFL/FR
 ionones 
 labdanum resinoidFR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 melon nonenoateFL/FR
 methyl 10-undecenalFL/FR
2-methyl anisoleFL/FR
 methyl benzoateFL/FR
 methyl cedryl ketoneFL/FR
 methyl cyclocitroneFR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl phenyl acetateFL/FR
1-(methyl thio)-2-butanoneFL
2-methyl-4-phenyl butanalFL/FR
 mimosa absoluteFL/FR
 musks 
 nerolidolFL/FR
 neryl acetateFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 octanalFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
 octyl 2-furoateFL
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
(E)-2-penten-1-ol 
 peony alcoholFR
 phenethyl butyl etherFR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 styralyl butyrateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
3,5,5-trimethyl hexanolFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
10-undecen-1-yl acetateFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 watermelon ketoneFR
 woody acetateFR
potential uses :
 agrumen
 aldehydic
 alpine bouquet
 amaryllis
 amber
 ambrette
 animal
 apple
 apple crabapple
 ash mountain ash blossom
 azalea
 bark
 bayberry
 beeswax cire d'abeille
 berry
 bouquet
 boxwood
 boxwood blossom
 brandy
 bread
 broom genet genista
 burberry
 burnt
 cabochard
 caramel
 carrot seed
 cassia blossom
 castoreum
 cedar forest
 cedarwood
 cheese
 cherry blossom
 chypre
 cilantro
 clean
 clematis
 cloth clean cloths
 clove blossom
 coconut
 cognac
 cortex
 costus
 crabapple blossom
 cream
 cumin
 custard
 cyclamen
 cypress
 daffodil narcissus
 dairy
 daisy
 date
 earth humus
 elder blossom
 elderberry
 fenugreek
 fern fougere
 fig
 fir balsam
 fixer
 floral
 flouve blossom
 foliage
 forest
 fresh
 fruit dried fruit
 fungus
 galanga
 ginger white ginger
 gingergrass
 grape
 guaiacwood
 hair
 heather
 hollyberry
 incense
 ivy leaf
 leaf autumn leaf
 leaf green leaf
 leather
 lettuce
 liverwort
 lychee soapberry
 maja
 malt
 marjoram
 meadow
 milk malted milk
 mushroom
 musk
 new car
 oakmoss mousse de chene
 ocean sea breeze
 orchid
 orris iris
 osmanthus
 outdoors fresh outdoors
 pansy
 patchouli
 peach
 peach blossom
 pear
 petal waxy petal
 petunia
 pineapple
 plum blossom
 pork
 powder
 privet
 privet blossom
 rain
 raisin
 redwood
 reseda mignonette
 rose
 rose geranium
 rose tea rose
 rose white rose
 saffron
 seaweed
 soapy
 starfruit
 stephanotis
 strawberry
 tobacco tabac tabaco
 tonka
 tuberose tubereuse
 tulip
 vetiver
 vine
 waxy
 whiskey
 wine
 wintergreen
 wool fat
natural occurrence in :    note
 not found in nature  


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