butyl undecylenate
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Notes :
Modifier for cosus oil.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butyl undec-10-enoate
InChI :InChI=1/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
InChIKey :GRAORJFMGCQWRN-UHFFFAOYAL
SMILES :CCCCOC(=O)CCCCCCCCC=C
cas number :109-42-2
(EINECS) number :203-670-4
beilstein number :1776569
fema number :2216
coe number :2103
jecfa number :344
fl. number :09.238
molar refractivity :73.04 ± 0.3 cm3
parachor :642.6 ± 4.0 cm3
index of refraction :1.444 ± 0.02
surface tension :29.9 ± 3.0 dyne/cm
density :0.875 ± 0.06 g/cm3
polarizability :28.95 ± 0.5 10-24cm3
XlogP : 6.00
XlogP3-AA : 5.50
molecular weight : 240.3816200 (IUPAC)
formula :C15 H28 O2
BioActivity Analysis :69066
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Fontarome :BUTYL UNDECYLENOATE
Odor:  Very faint, slightly fruity, wine fusel
Inoue :BUTYL UNDECENOATE
Penta :butyl 10-undecenoate
Sigma-Aldrich-SAFC :Butyl 10-undecenoate
≥98%, Kosher
Odor:  butter; wine-like
Vigon :Butyl Undecylenate
Odor:  BUTTER, WINE-LIKE

organoleptics :
odor type :fatty
odor strength :medium
odor description :¹
at 100.00 %.  
fatty butter wine floral fruity
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :344  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86800 to 0.87900 @ 25.00 °C.
pounds per gallon - calc. : 7.223 to 7.314
specific gravity :0.91200 to 0.92200 @ 20.00 °C.
pounds per gallon - calc. : 7.598 to 7.681
refractive index :1.43900 to 1.44900 @ 20.00 °C.
boiling point : 249.00 to 254.00 °C. @ 756.00 mm Hg
boiling point : 125.00 to 128.00 °C. @ 3.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 6.04

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.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    5000.00  mg/kg
(Moreno, 1977b)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
 
recommendation for butyl undecylenate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for butyl undecylenate usage levels up to :
  60.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 butyl undec-10-enoate
(EINECS) number :203-670-4
RTECS :YQ2978000 for 109-42-2
chemidplus :000109422
EPA Substance Registry Services :109-42-2
dtp/nci :2395

references :
 butyl undec-10-enoate
fl. number :09.238
jecfa number :344
NIST Chemistry WebBook :4005910990
pubchem :197255

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butyl 10-undecenoate
 butyl 10-undecylenate
 butyl undec-10-enoate
 butyl undecenoate
10-undecenoic acid butyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal 318
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl propionyl
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 benzyl lactate
 butyl butyryl lactate
 butyl octanoate
 butyric acid
isobutyric acid
 butyroin
 chamomile valerate
 cinnamyl benzoate
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 clary propyl acetate
 coffee furanone
gamma-decalactone
9-decen-1-al
6-decenoic acid
 diacetyl
 diacetyl trimer
5,5-dibutyl dihydrofuran-2(3H)-one
2,4-difurfuryl furan
alpha,alpha-dimethyl anisyl acetone
 dimethyl benzyl carbinyl acetate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
3,7-dimethyl-6-octenoic acid
delta-dodecalactone
 eriocephalus punctulatus oil
 ethyl lactate
 ethyl laurate
2-ethyl pyrazine
 ethyl undecanoate
 gardenia concrete
 geraniol
2,3-heptane dione
2-heptanol
(Z)-4-hepten-1-al
 heptyl formate
 hexadecanol
3,4-hexane dione
(Z)-3-hexen-1-yl butyrate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 jasmin pyranone
 linalyl butyrate
 mandarine undecenal
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl benzyl acetate (mixed ortho-,meta-,para-)
3-methyl butyl 2-furyl butyrate
 methyl cyclogeranate
 methyl heptanoate
2-methyl heptanoic acid
3-(methyl thio) hexanal
 methyl undecylenate
(Z)-nerolidol
gamma-nonalactone
 nonanol
1-octen-3-yl butyrate
(E)-2-pentenoic acid
 petal pyranone
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
 prenyl isobutyrate
 rhubarb pyran
 sodium 4-methyl-2-oxovalerate
3-tetrahydrothiophenone
(E,E)-2,4-undecadien-1-al
 undecanal propylene glycol acetal
(Z)-8-undecen-1-al
 waxy lactone

(odor and/or flavor) used in :
 apricot
 brandy
 butter
 costus
 nut
 rum

natural occurrence in :
not found in nature



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