butyl undecylenate
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Notes :
Modifier for cosus oil.
 
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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
Molar Refractivity :73.04 ± 0.3 cm3 (est)
Parachor :642.6 ± 4.0 cm3 (est)
Index of Refraction :1.444 ± 0.02 (est)
Surface Tension :29.9 ± 3.0 dyne/cm (est)
Density :0.875 ± 0.06 g/cm3 (est)
Polarizability :28.95 ± 0.5 10-24cm3 (est)
XlogP : 6.00 (est)
XlogP3-AA : 5.50 (est)
Molecular Weight : 240.3816200 (IUPAC) (PT) (112)
Formula :C15 H28 O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Butyl 10-undecenoate.
Fl@vouring Number : 09.238
FDA Mainterm : BUTYL 10-UNDECENOATE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Fontarome :BUTYL UNDECYLENOATE
Odor:  Very faint, slightly fruity, wine fusel
Inoue :BUTYL UNDECENOATE
Penta :butyl 10-undecenoate
SAFC Global® :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:
at 100.00 %.  
fatty butter wine floral fruity
Luebke, William tgsc, (1986)
Odor sample from :Fritzsche Dodge & Olcott, Inc.
Substantivity :344  Hour(s)

Properties :
Appearence :colorless to pale yellow clear liquid
Food Chemicals Codex Listed :No
Flash Ppoint :> 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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
 
Recommendation for butyl undecylenate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
Recommendation for butyl undecylenate flavor 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
BioActivity Analysis :69066
(EINECS) Number :203-670-4
RTECS :YQ2978000 for cas# 109-42-2
Chemidplus :000109422
EPA Substance Registry Services :109-42-2
dtp/nci :2395

References :
 
butyl undec-10-enoate
NIST Chemistry WebBook :4005910990
Pubchem :197255

Cosmetics :
Cosmetic Uses : perfuming agents

Other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
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

Similar Products:    note
 allyl undecylenate
 amyl undecylenate
isoamyl undecylenate
isobutyl undecylenate
para-cresyl 10-undecylenate
 ethyl undecylenate
 geranyl undecylenate
 heptyl undecylenate
 methyl undecylenate
isopropyl undecylenate

Soluble in :
 alcohol

Insoluble in :
 water

Potential Blenders :    note
 acetal 318FR
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl propionylFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl lactateFL/FR
 butyl butyryl lactateFL/FR
 butyl octanoateFL/FR
 butyric acidFL
isobutyric acidFL
 butyroinFL
 chamomile valerateFR
 cinnamyl benzoateFL/FR
 citronellyl nitrileFR
 citronellyl oxyacetaldehydeFL/FR
 clary propyl acetateFR
 coffee furanoneFL
gamma-decalactoneFL/FR
9-decen-1-alFL/FR
6-decenoic acidFL
 diacetylFL
 diacetyl trimerFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
2,4-difurfuryl furanFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
3,7-dimethyl-6-octenoic acidFL
delta-dodecalactoneFL/FR
 eriocephalus punctulatus oil 
 ethyl lactateFL/FR
 ethyl laurateFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
 gardenia concreteFR
 geraniolFL/FR
2,3-heptane dioneFL/FR
2-heptanolFL/FR
(Z)-4-hepten-1-alFL/FR
 heptyl formateFL/FR
 hexadecanolFL/FR
3,4-hexane dioneFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
 mandarine undecenalFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclogeranateFR
 methyl heptanoateFL/FR
2-methyl heptanoic acidFL/FR
3-(methyl thio) hexanalFL
 methyl undecylenateFL/FR
(Z)-nerolidol 
gamma-nonalactone (aldehyde C-18)FL/FR
 nonanolFL/FR
1-octen-3-yl butyrateFL/FR
(E)-2-pentenoic acidFL
 petal pyranoneFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 prenyl isobutyrateFL/FR
 rhubarb pyranFR
 sodium 4-methyl-2-oxovalerateFL
3-tetrahydrothiophenoneFL
(E,E)-2,4-undecadien-1-alFL
 undecanal propylene glycol acetalFL/FR
(Z)-8-undecen-1-alFR
 waxy lactoneFL/FR

Potential Uses :
 apricotFR
 brandyFL
 butterFR
 costusFL
 nutFL
 saffronFR

Natural Occurrence in :    note
 not found in nature  



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