para-anisyl alcohol
Notes :
5 parts anisic alcohol to 7 parts cinnamic alcohol. Blend with eugenyl methyl ether to make lilacs. Naphthyl ethyl ether or naphthyl methyl ether removes the chemical note.
 
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IUPAC name :(4-methoxyphenyl)methanol
InChI :InChI=1/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey :MSHFRERJPWKJFX-UHFFFAOYAE
SMILES :COC1=CC=C(C=C1)CO
(EINECS) number :203-273-6
cas number :105-13-5
beilstein number :0636654
fema number :2099
coe number :66
jecfa number :871
fl. number :02.128
molar refractivity :39.38 ± 0.3 cm3
parachor :317.4 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.085 ± 0.06 g/cm3
polarizability :15.61 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 138.1638000
formula :C8 H10 O2
BioActivity Analysis :68837
 
 
fda reg :unspecified h. number :2909.49.0000
organoleptics : 
odor type :powdery
odor strength :medium
odor description :
at 100.00 %.  
sweet powdery hawthorn lilac rose floral hyacinth
taste description³ :at 10.00 ppm.  
Cherry, vanilla, creamy nuances, cocoa, licorice, anise
substantivity :82 hour(s) at 100.00 %
properties : 
appearence :white to pale yellow liquid to solid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.10800 - 1.11600 @ 25.00 °C.
pounds per gallon - calc. : 9.220 to 9.286
specific gravity :1.10900 - 1.11700 @ 20.00 °C.
pounds per gallon - calc. : 9.239 to 9.305
refractive index :1.54200 - 1.54600 @ 20.00 °C.
melting point : 23.00 - 25.00 °C. @ 760.00 mm Hg
boiling point : 259.00 - 260.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 0.95
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1200.00  ul/kg  JPETAB  93,26,1948
Dermal Toxicity(LD50) : Skin-Rabbit  3.00  gm/kg  FCTXAV  12,825,1974
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
IFRA critical Effect :Sensitization
Fragrance usage is RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :0.04 % (1)Category 2 :0.10 %
Category 3 :0.20 %Category 4 :0.70 %
Category 5 :0.40 %Category 6 :1.10 % (1)
Category 7 :0.10 %Category 8 :1.50 %
Category 9 :5.00 %Category 10 :2.50 %
Category 11 :See Note 
  
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case para-anisyl alcohol) must not exceed 5% in the candle.

recommendation for para-anisyl alcohol usage levels up to :
  12.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-273-6
rtecs :DO8925000 for 105-13-5
chemidplus :000105135
epa-srs :105-13-5
dtp/nci :2151
  
other : 
  C of A
references : 
pubchem :150829
NIST Chemistry WebBook :3611667559
  
reference : Mosciano, Gerard P&F 24, No. 2, 49, (1999)³
synonyms :
 anisalcohol
 anise alcohol
 anisic alcohol
para-anisol alcohol
 anisyl alcohol
para-anisyl alcohol
4-methoxybenzene methanol
4-methoxybenzyl alcohol
para-methoxybenzyl alcohol
soluble in :
 benzyl alcohol
 ethyl alcohol, 1 vol of 50% alcohol
 fixed oils
 water, 2000 mg/L @ 20C
insoluble in :
 paraffin oil
 water
stability :
 cream
 detergent
 hair spray
 lotion
 non-discoloring in most media
 powder
 shampoo
(odor and/or flavor) blends with :
 acetoin
 allyl cyclohexyl propionate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 anethol
 animal carbolactone
para-anisaldehyde
 beeswax absolute
 benzoin resinoid
 benzyl cinnamate
 caramel furanone
 caraway seed oil
 cassia absolute
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 clove bud oil
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
gamma-decalactone
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 elderflower oil
 ethyl cinnamate
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 gurjun balsam oil
 heliotropin
 heliotropyl acetone
alpha-hexyl cinnamaldehyde
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
laevo-linalool
 maltol
 methyl eugenol
2-methyl undecanal
 mimosa absolute
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
 nerolidol
 nonanol
 ocean propanal
 orris absolute
 patchouli ethanone
 phenethyl alcohol
 phenethyl phenyl acetate
 raspberry ketone methyl ether
 rose butanoate
 santall
alpha-terpineol
 tonka bean absolute
 vanilla absolute
 verymoss
 watermelon ketone
(odor and/or flavor) used in :
 anise
 apple blossom
 apricot
 banana
 broom genet genista
 carnation dianthus oeillet
 cassia
 cassie acacia farnesiana
 cherry
 chocolate
 chocolate cocoa
 chypre
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cream
 fern fougere
 floral
 florida breeze
 gardenia
 ginger white ginger
 gingerbread
 grass sweet grass
 hawthorn
 hay new mown hay foin coupe
 heather
 heliotrope
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jasmin
 licorice
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 mimosa wattle
 muguet lily of the valley
 orange
 peach
 powder
 sherry
 sweet pea pois de senteur
 tuberose tubereuse
 vanilla
 violet
 wallflower giroflee
 wine
 ylang ylang cananga
natural occurrence in :
anise seed oil
honey
vanilla pods
whiskey bourbon whiskey



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