para-cresyl propionaldehyde
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IUPAC name :3-(4-methylphenyl)propanal
InChI :InChI=1/C10H12O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,2-3H2,1H3
InChIKey :ABGZWIFTZXUDGF-UHFFFAOYAD
SMILES :CC1=CC=C(C=C1)CCC=O
cas number :5406-12-2
(EINECS) number :226-460-4
molar refractivity :45.44 ± 0.3 cm3
parachor :370.1 ± 4.0 cm3
index of refraction :1.508 ± 0.02
surface tension :34.8 ± 3.0 dyne/cm
density :0.972 ± 0.06 g/cm3
polarizability :18.01 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 148.2016800
formula :C10 H12 O
BioActivity Analysis :71438
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
heliotrope lily lilac

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 222.00 to 223.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.58

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

safety in use :
 
IFRA critical Effect :Sensitization
limits in the finished product for - "leave on the skin contact" :
  0.2000 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  0.2000 % Restriction.
limits in the finished product for - "no skin contact" :
  2.0000 % Restriction.
recommendation for para-cresyl propionaldehyde usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for para-cresyl propionaldehyde usage levels up to :
 not for flavor use.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : p-Methylhydrocinnamic aldehyde )
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
 
 
 3-(4-methylphenyl)propanal
(EINECS) number :226-460-4
chemidplus :005406122
EPA Substance Registry Services :5406-12-2
dtp/nci :5304

references :
 3-(4-methylphenyl)propanal
pubchem :206757

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
3-para-cresyl propanal
3-para-cresyl propionaldeyde
4-methyl benzene propanal
4-methyl hydrocinnamaldehyde
para-methyl hydrocinnamaldehyde
para-methyl hydrocinnamic aldehyde
3-(4-methyl phenyl) propanal
3-(para-methyl phenyl) propanal
3-(4-methylphenyl)propanal
3-para-tolyl propionaldehyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 cinnamon
 heliotrope
 lilac lilas syringa
 lily

natural occurrence in :
cinnamon bark oil



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