butyl laurate
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IUPAC name :butyl dodecanoate
InChI :InChI=1/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
InChIKey :NDKYEUQMPZIGFN-UHFFFAOYAL
SMILES :CCCCCCCCCCCC(=O)OCCCC
cas number :106-18-3
(EINECS) number :203-370-3
beilstein number :1776360
fema number :2206
coe number :376
jecfa number :181
fl. number :09.100
molar refractivity :77.94 ± 0.3 cm3
parachor :693.4 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.865 ± 0.06 g/cm3
polarizability :30.90 ± 0.5 10-24cm3
XlogP : 7.00
XlogP3-AA : 6.50
molecular weight : 256.4240800 (IUPAC)
formula :C16 H32 O2
BioActivity Analysis :70331
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.90.0000
fda reg :172.515
177.2600
Suppliers :
Cargill :BUTYL LAURATE
natural, Kosher
Odor:  Wax, Oily
Inoue :BUTYL LAURATE
Penta :butyl laurate
Pfaltz & Bauer :N-Butyl Laurate
98%
SAFC Global® :Butyl laurate
≥99%
TCI AMERICA :Butyl Laurate
>99.0%(GC)
organoleptics :
odor type :waxy
odor strength :medium
odor description:
at 100.00 %.  		waxy soapy fruity peanut
odor description:
Weak, waxy and soapy with a slightly fermented dairy nuance
Mosciano, Gerard P&F 22, No. 4, 75, (1997)
taste description:
at 40.00 ppm.  		Waxy and soapy with a creamy, dairy nuance
Mosciano, Gerard P&F 22, No. 4, 75, (1997)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84500 to 0.84700 @ 25.00 °C.
pounds per gallon - calc. : 7.031 to 7.048
refractive index :1.43460 to 1.43710 @ 20.00 °C.
melting point : -10.00 °C. @ 760.00 mm Hg
boiling point : 180.00 °C. @ 18.00 mm Hg
boiling point : 154.00 °C. @ 4.50 mm Hg
vapor pressure :0.00059 mm/Hg @ 25.00 °C.
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 6.51
safety :
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) :0.00 (μg/capita/day)
 
recommendation for butyl laurate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for butyl laurate flavor usage levels up to :
  40.0000 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 :1
 
 
 
 
butyl dodecanoate
(EINECS) number :203-370-3
chemidplus :000106183
EPA Substance Registry Services :106-18-3
dtp/nci :3920
references :
 
butyl dodecanoate
fl. number :09.100
jecfa number :181
NIST Chemistry WebBook :1982552496
pubchem :197239
Flavornet :106-18-3
other :
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
FDA Listing of Food Additive Status Part I (A through GView
FDA Listing of Food Additive Status Part II (H through ZView
synonyms :
 butyl dodecanoate
 butyl dodecylate
 dodecanoic acid butyl ester
 lauric acid butyl ester
Similar Products:    note
 benzyl laurate
 amyl laurate
isoamyl laurate
isobutyl laurate
 citronellyl laurate
para-cresyl laurate
 decyl laurate
 ethyl laurate
 hexyl laurate
2-methyl butyl laurate
 methyl laurate
 nonyl laurate
 octyl laurate
 propyl laurate
isopropyl laurate
soluble in :
 alcohol
 most organic solvents
 water, 0.06 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetyl nonyrylFL/FR
2-acetyl thiazoleFL/FR
 benzyl laurateFL/FR
 butyl acetoacetateFL/FR
 butyl butyryl lactateFL/FR
 butyl laevo-lactateFL/FR
isobutyl methyl ketoneFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyric acidFL
 cedrenyl acetateFR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa hexenalFL/FR
 coconut decanoneFR
 cognac oil whiteFL/FR
 coranolFR
 cubeb oilFL/FR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
 dihydrolinaloolFL/FR
 diisoamyl thiomalateFL
2,3-dimethyl pyrazineFL/FR
3,6-dimethyl-3-octanolFL/FR
2,5-dithiahexaneFL
 dodecanalFL/FR
 dodecanolFL/FR
2-ethyl butyric acidFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
 filbert pyrazineFL
 geranyl acetoacetateFL/FR
 heptanal 2,3-butane diol acetalFL
 hexyl butyrateFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl (Z)-5-octenoateFL
3-methyl crotonic acidFL
 methyl laurateFL/FR
4-methyl octanoic acidFL
2-methyl pyrazineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
3-(methyl thio) methyl thiopheneFL
S-(methyl thio) propionateFL
 methyl thiol isovalerateFL
 nonanoic acidFL
 nutty pyrazineFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
 octyl phenyl acetateFL/FR
 peanut dithiazineFL
 propyl alcoholFL/FR
delta-tetradecalactoneFL/FR
 tetrahydrolinaloolFL/FR
2-tridecanoneFL/FR
2,3,5-trimethyl pyrazineFL
 undecanalFL/FR
 valeraldehydeFL/FR
 vanillic acidFL/FR
potential uses :
 apple
 cognac
 fruit
 nut peanut
 soapy
 waxy
natural occurrence in :    note
 apple  
 gooseberry cape  
 malt  
 whiskey  

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