methyl 2-undecynoate
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :methyl undec-2-ynoate
InChI :InChI=1/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3
InChIKey :YPUZOJRRZPRXNV-UHFFFAOYAW
SMILES :CCCCCCCCC#CC(=O)OC
cas number :10522-18-6
fema number :2751
coe number :2111
jecfa number :1358
fl. number :09.239
molar refractivity :57.42 ± 0.3 cm3
parachor :512.4 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.919 ± 0.06 g/cm3
polarizability :22.76 ± 0.5 10-24cm3
XlogP : 5.00
molecular weight : 196.2860000
formula :C12 H20 O2
BioActivity Analysis :144953
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

organoleptics :
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
waxy fruity green floral violet

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91770 @ 20.00 °C.
refractive index :1.44650 @ 20.00 °C.
boiling point : 230.00 °C. @ 760.00 mm Hg
boiling point : 121.00 °C. @ 5.00 mm Hg
flash point : 242.00  °F.  TCC  ( 116.67 °C. )
logP (o/w) : 5.16

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for methyl 2-undecynoate usage levels up to :
 not for fragrance use.
recommendation for methyl 2-undecynoate usage levels up to :
  20.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 methyl undec-2-ynoate
chemidplus :010522186
EPA Substance Registry Services :10522-18-6
dtp/nci :289575

references :
 methyl undec-2-ynoate
fl. number :09.239
jecfa number :1358
pubchem :197790

other :
synonyms :
 methyl decin carbonate
 methyl decine carbonate
 methyl decyne carbonate
 methyl undec-2-ynoate
2-undecynoic acid methyl ester

soluble in :
 alcohol
 dipropylene glycol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl butyrate
 allyl cyclohexyl acetate
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl benzoate
isoamyl butyrate
isoamyl formate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl laurate
isoamyl octanoate
 boronia absolute
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
beta-cyclocitral
 cyclohexyl ethyl alcohol
 cyclohexyl propionate
2-cyclopentyl cyclopentanone
alpha-decalactone
 decanal diethyl acetal
3-decanone
(E)-2-decen-1-al
(Z)-4-decen-1-ol
(Z)-5-decen-1-ol
(E)-2-decen-1-yl acetate
9-decenoic acid
 decyl butyrate
 diethyl malonate
 dimethyl succinate
(E,E)-2,4-dodecadien-1-ol
 dodecanal
 dodecanol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl decanoate
 ethyl hexanoate
 ethyl myristate
 ethyl palmitate
 ethyl undecanoate
 ethyl undecylenate
 furfuryl propionate
1-furfuryl pyrrole
 geranyl acetate
(E)-geranyl acetone
 geranyl hexanoate
 grape butyrate
 heptanal cyclic ethylene acetal
2-heptanol
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
3-hexanone
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl propionate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl octanoate
 hexyl phenyl acetate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 jasmin absolute
 jasmin absolute pommade
 jasmin cyclopentanol
 lily pentanal
 melon nonenoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2,4-decadienoate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
 methyl citronellate
(E)-methyl geranate
 methyl heptanoate
2-methyl heptanoic acid
 methyl heptine carbonate
 methyl octanoate
 methyl octenoate
2-methyl undecanal dimethyl acetal
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 myristic acid
 nerolidyl isobutyrate
 neryl butyrate
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
3-nonanon-1-yl acetate
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(E)-2-nonen-1-yl acetate
(E,E)-3,5-octadien-2-one
 octanol
(E)-2-octen-1-al
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 octyl isobutyrate
2-pentyl furan
 phenethyl hexanoate
 phenethyl octanoate
 phenoxyethyl isobutyrate
 phenyl acetaldehyde ethylene glycol acetal
 phytyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propylene acetal
 rhubarb undecane
(E)-2-tetradecen-1-al
 tetrahydrofurfuryl butyrate
 timber dioxolane
(E)-2-tridecen-1-yl acetate
 tropical indene
 tropical thiazole
2-undecanone
10-undecen-1-ol
 violet dienyne
 waxy aldehyde

(odor and/or flavor) used in :
 citrus
 fat
 fruit
 kiwi
 milk
 violet
 waxy

natural occurrence in :
not found in nature



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