para-methyl phenoxyacetaldehyde
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(4-methylphenoxy)acetaldehyde
InChI :InChI=1/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3
InChIKey :KWNAUDMYKHHEOA-UHFFFAOYAJ
SMILES :CC1=CC=C(C=C1)OCC=O
(EINECS) number :267-317-6
cas number :67845-46-9
molar refractivity :42.57 ± 0.3 cm3
parachor :350.2 ± 4.0 cm3
index of refraction :1.505 ± 0.02
surface tension :35.4 ± 3.0 dyne/cm
density :1.046 ± 0.06 g/cm3
polarizability :16.87 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 150.1745000
formula :C9 H10 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :hay
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful hay melon ozone floral

properties :
appearence :colorless clear liquid
assay : 48.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98800 to 0.99400 @ 25.00 °C.
pounds per gallon - calc. : 8.221 to 8.271
specific gravity :0.98900 to 0.99500 @ 20.00 °C.
pounds per gallon - calc. : 8.239 to 8.289
refractive index :1.46600 to 1.47200 @ 20.00 °C.
boiling point : 242.00 to 243.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 1.92

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 76.00  °F.  TCC  ( 24.44 °C. )
recommendation for para-methyl phenoxyacetaldehyde usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for para-methyl phenoxyacetaldehyde usage levels up to :
 not for flavor use.

safety links :
 
 
(EINECS) number :267-317-6
chemidplus :067845469
EPA Substance Registry Services :67845-46-9
NLM Chemical Carcinogenesis Research Information System :67845-46-9
NLM Developmental and Reproductive Toxicity :67845-46-9
NLM Env. Mutagen Info. Center :67845-46-9
NLM GENetic TOXicology :67845-46-9
EPI System :view

other :

references :
pubchem :683170
synonyms :
 aldehyde XI
para-cresoxyacetaldehyde
(4-methyl phenoxy) acetaldehyde
2-(4-methyl phenoxy) acetaldehyde
 methyl phenoxyacetaldehyde
para-methyl phenoxyacetaldehyde
para-methyl phenyl oxyacetaldehyde
 XI aldehyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde dimethyl acetal
2-acetyl-5-methyl furan
 acorn acetate
isoamyl geranate
6-amyl-alpha-pyrone
 anisonitrile
para-anisyl acetate
 beeswax absolute
 boronia butenal
 bran absolute
 capsicum oleoresin
 champaca flower oil
 cherry oxyacetate
 clary sage absolute
 coconut decanone
 coconut naphthalenone
 coumane
 coumarin
para-cresyl caprylate
 cyclamen aldehyde
2-cyclohexyl cyclohexanone
 decyl vinyl ether
 deertongue absolute
 deertongue oleoresin
 dehydromenthofurolactone
 dihydrocoumarin
 dimethyl hydroquinone
 floral nitrile
 flouve absolute
 fresh nitrile
 genet absolute
 geranyl oxyacetaldehyde
 green heptenal
 hay absolute
gamma-heptalactone
 heptanal
(Z)-3-hepten-1-ol
 hexahydrocoumarin
(Z)-3-hexen-1-yl oxyacetaldehyde
 immortelle absolute
 jalapeno oleoresin
 leather propionate
 leerall
 lovage oleoresin
 marine carbonitrile
 marine decadienal
 marine hexane
 marine pyridine
 mate absolute
 melon heptenal
 methoxycitronellal
7-methoxycoumarin
7-methyl coumarin
 methyl nonane dione
para-methyl phenoxyacetaldehyde
6-methyl quinoline
 muguet carboxaldehyde
 myrmac aldehyde
 myrtenal
 oakmoss phenol
 ocean carboxaldehyde
 ocean propanal
 ocean propanal / methyl anthranilate schiff's base
 octahydrocoumarin
3-octen-2-one
 ozone propanal
 paprika oleoresin
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenoxyethyl propionate
 phthalide
 pine needle absolute
(+)-beta-pinene
beta-pinene
laevo-beta-pinene
 saffron resinoid
 savin oil
 syringaldehyde
 tobacco leaf absolute
 tonka bean absolute
 tonka bean oleoresin
 tonka bean resinoid
 tonka furanone
 tonka ketone
 tonka undecanone
 tonkavert
3,5,5-trimethyl hexanol
10-undecen-1-ol
 vanillyl alcohol
 verbena absolute france
 verbenol
 watermelon ketone
 whiskey lactone
 woody heptene

(odor and/or flavor) used in :
 floral
 hay new mown hay foin coupe
 hyacinth jacinthe
 lily
 melon watermelon muskmelon cantaloupe
 ozone

natural occurrence in :
not found in nature



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