butyl laurate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :203-370-3
cas number :106-18-3
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
molecular weight : 256.4240800
formula :C16 H32 O2
BioActivity Analysis :70331
 
 
export tariff code :2915.90.0000
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :BUTYL LAURATE
 natural, Kosher
 
Sigma-Aldrich-SAFC :Butyl laurate
 ≥99%
 
 

organoleptics :
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
waxy soapy fruity peanut

properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84500 - 0.84700 @ 25.00 °C.
pounds per gallon - calc. : 7.031 to 7.048
refractive index :1.43460 - 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
logp : 6.51

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.00 (μg/capita/day)
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for butyl laurate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for butyl laurate usage levels up to :
  40.0000 ppm in the flavor.
  

safety links :
(EINECS) number :203-370-3
chemidplus :000106183
epa-srs :106-18-3
dtp/nci :3920
  
EPI System :Click here

other :
 

references :
jecfa number :181
fl. number :09.100
pubchem :197239
NIST Chemistry WebBook :1982552496
  
synonyms :
 butyl dodecanoate
 butyl dodecylate
 butyl laurate
 dodecanoic acid butyl ester
 lauric acid butyl ester
soluble in :
 alcohol
 most organic solvents
 water, 0.06 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 acetyl nonyryl
2-acetyl thiazole
 benzyl laurate
 butyl acetoacetate
 butyl butyryl lactate
 butyl laevo-lactate
isobutyl methyl ketone
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 butyric acid
 cedrenyl acetate
 chocolate pyrazine A
 chocolate pyrazine B
 cocoa hexenal
 coconut decanone
 cognac oil white
 coranol
 cubeb oil
 dairy lactone
delta-decalactone
 dihydrolinalool
 diisoamyl thiomalate
2,3-dimethyl pyrazine
3,6-dimethyl-3-octanol
2,5-dithiahexane
 dodecanal
 dodecanol
2-ethyl butyric acid
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
2-ethyl pyrazine
 ethyl undecanoate
 filbert pyrazine
 geranyl acetoacetate
 heptanal 2,3-butane diol acetal
 hexyl butyrate
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
2-methoxy-3-methyl pyrazine
2-methoxy-4-vinyl phenol
 methyl (Z)-5-octenoate
3-methyl crotonic acid
 methyl laurate
4-methyl octanoic acid
2-methyl pyrazine
2-methyl thio-3,5 or 6-methyl pyrazine
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
 methyl thiol isovalerate
 nonanoic acid
 nutty pyrazine
delta-octalactone
gamma-octalactone
 octyl phenyl acetate
 peanut dithiazine
 propyl alcohol
delta-tetradecalactone
 tetrahydrolinalool
2-tridecanone
2,3,5-trimethyl pyrazine
 undecanal
 valeraldehyde
 vanillic acid
(odor and/or flavor) used in :
 apple
 cognac
 fruit
 nut peanut
 soapy
 waxy
natural occurrence in :
apple
gooseberry cape
malt
whiskey



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