phenoxyacetaldehyde 50% in benzyl alcohol
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IUPAC name :2-phenoxyacetaldehyde
InChI :InChI=1/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey :XFFILAFLGDUMBF-UHFFFAOYAS
SMILES :C1=CC=C(C=C1)OCC=O
cas number :2120-70-9
% from :50.00%
(EINECS) number :218-329-5
beilstein number :0970857
molar refractivity :37.75 ± 0.3 cm3
parachor :312.6 ± 4.0 cm3
index of refraction :1.505 ± 0.02
surface tension :36.4 ± 3.0 dyne/cm
density :1.069 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
XlogP : 1.70
XlogP3 : 1.80
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
NMR Predictor :Predict
 
 
IUPAC name :phenylmethanol
InChI :InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey :WVDDGKGOMKODPV-UHFFFAOYAH
SMILES :C1=CC=C(C=C1)CO
cas number :100-51-6
% from :50.00%
(EINECS) number :202-859-9
eu annex :603-057-00-5
beilstein number :0878307
fema number :2137
coe number :58
jecfa number :25
fl. number :02.010
molar refractivity :32.70 ± 0.3 cm3
parachor :260.8 ± 4.0 cm3
index of refraction :1.546 ± 0.02
surface tension :40.7 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :12.96 ± 0.5 10-24cm3
XlogP : 1.20
XlogP3 : 1.10
molecular weight : 108.1378200 (IUPAC)
formula :C7 H8 O
BioActivity Analysis :73758
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
John D. Walsh :Cortex Aldehyde 50% Benzyl Alcohol
Penta :cortex aldehyde
50 benzyl alcohol
Penta :phenoxy acetaldehyde
50% in benzyl alcohol
organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		fresh green cortex leafy hyacinth ozone leather
odor sample from :International Flavors & Fragrances Inc.
substantivity :188  Hour(s)
properties :
appearence :colorless clear viscous liquid
assay : 45.00 to  55.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12000 to 1.14000 @ 25.00 °C.
pounds per gallon - calc. : 9.320 to 9.486
specific gravity :1.12100 to 1.14100 @ 20.00 °C.
pounds per gallon - calc. : 9.339 to 9.505
refractive index :1.54500 to 1.56500 @ 20.00 °C.
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 1.46
safety :
most important hazard(s) :Xn - Harmful.
  R 20/22 - Harmful by inhalation and if swallowed.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for phenoxyacetaldehyde 50% in benzyl alcohol usage levels up to :
  2.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-phenoxyacetaldehyde
(EINECS) number :218-329-5
chemidplus :002120709
EPA Substance Registry Services :2120-70-9
dtp/nci :49355
 
 
 phenylmethanol
(EINECS) number :202-859-9
RTECS :100-51-6
chemidplus :000100516
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :100-51-6
dtp/nci :8044
references :
 2-phenoxyacetaldehyde
pubchem :217260
 phenylmethanol
fl. number :02.010
jecfa number :25
NIST Chemistry WebBook :736075466
pubchem :150583
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1990)¹
CosIng :cosmetic data
synonyms :
 cortex aldehyde 50
2-(phenoxy)acetaldehyde 50% in benzyl alcohol
2-phenoxyacetaldehyde 50% in benzyl alcohol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 allyl nonanoate
para-anisyl alcohol
 anisyl propanal / methyl anthranilate schiff's base
 basil absolute sweet
 benzyl methyl ether
2-isobutyl thiazole
 cinnamyl alcohol
 citrus carbaldehyde / methyl anthranilate schiff's base
para-cresyl phenyl acetate
 cumin acetaldehyde
neocyclocitral
 dimethyl benzyl carbinol
2,4-dimethyl cyclohexyl methyl acetate
 dimethyl salicylate
 diphenyl oxide
 ethyl hydrocinnamate
 galbanum ketone
 galbanum oil terpeneless
 galbanum oleoresin
 geranium absolute
 green ether
 heptyl cinnamate
 herbal heptane
 hexanal diethyl acetal
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
 hexoxyacetaldehyde dimethyl acetal
 hexyl heptanoate
 hyacinth absolute
 hyacinth butanal
 hyacinth ether
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
2,4-ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 kewda absolute
 kewda oil
 leaf acetal
 leafy acetal
 leafy oxime
 methyl heptine carbonate
3-methyl-3-pentanol
 muguet undecadienal
 narcissus absolute
(E,Z)-2,6-nonadien-1-yl acetate
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 orangeflower absolute
 petitgrain combava oil
 phenethyl acetal
 phenethyl formate
 phenethyl salicylate
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetaldehyde ethylene glycol acetal
 phenyl glycol diacetate
2-phenyl propionaldehyde
3-phenyl propionaldehyde
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propyl acetate
(R)-2-phenyl propyl alcohol
2-phenyl propyl alcohol
3-phenyl propyl alcohol
3-phenyl propyl formate
 phenyl propyl phenyl acetate
3-phenyl propyl propionate
(E)-2-phenyl-1(2)-propene-1-yl acetate
 propyl cinnamate
isopropyl phenyl acetate
isopropyl phenyl propionaldehyde
isopropyl quinoline
isopulegyl formate
 reseda acetal
 rose absolute
 rose leaf absolute
laevo-rose oxide
 rosemary oleoresin
 styralyl acetate
 styralyl alcohol
 tea acetate
 tetrahydrofurfuryl cinnamate
(odor and/or flavor) used in :
 cortex
 freshener
 grass
 hyacinth jacinthe
 leaf
 leather
 muguet lily of the valley
 outdoors fresh outdoors
natural occurrence in :
not found in nature



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