para-cresyl laurate
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IUPAC name :(4-methylphenyl) dodecanoate
InChI :InChI=1/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
InChIKey :GRSHNQARIXQRDQ-UHFFFAOYAK
SMILES :CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C
cas number :10024-57-4
(EINECS) number :233-024-7
fema number :3076
coe number :378
jecfa number :704
fl. number :09.102
molar refractivity :88.74 ± 0.3 cm3
parachor :744.2 ± 4.0 cm3
index of refraction :1.487 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.941 ± 0.06 g/cm3
polarizability :35.18 ± 0.5 10-24cm3
XlogP : 7.60
molecular weight : 290.4403000
formula :C19 H30 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

organoleptics :
odor type :floral
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
floral sweet nutty vanilla

properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94600 to 0.95200 @ 25.00 °C.
pounds per gallon - calc. : 7.872 to 7.922
refractive index :1.49400 to 1.50000 @ 20.00 °C.
boiling point : 376.00 to 377.00 °C. @ 760.00 mm Hg
flash point : 261.00  °F.  TCC  ( 127.22 °C. )
logP (o/w) : 7.33

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.30 (μg/capita/day)
 
recommendation for para-cresyl laurate usage levels up to :
  0.8000 % in the fragrance concentrate.
recommendation for para-cresyl laurate usage levels up to :
  2.5000 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
 
 
 
 (4-methylphenyl) dodecanoate
(EINECS) number :233-024-7
chemidplus :010024574
EPA Substance Registry Services :10024-57-4

references :
 (4-methylphenyl) dodecanoate
fl. number :09.102
jecfa number :704
pubchem :197693

other :
synonyms :
para-cresyl dodecanoate
 dodecanoic acid 4-methyl phenyl ester
 lauric acid para-tolyl ester
4-methyl phenyl dodecanoate
para-methyl phenyl dodecanoate
(4-methylphenyl) dodecanoate
para-tolyl dodecanoate
para-tolyl laurate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl nonanoate
alpha-angelica lactone
para-anisyl formate
 benzyl benzoate
 cedarwood oil virginia
 coumane
 coumarin
 cypress absolute
(Z)-3-hexen-1-yl benzoate
 lily absolute
para-methoxycinnamaldehyde
 propyl benzoate
 sandalwood oil

(odor and/or flavor) used in :
 balsam
 cream
 fat
 nut
 vanilla

natural occurrence in :
not found in nature



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