vanillyl acetate
 
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IUPAC name :(4-formyl-2-methoxyphenyl) acetate
InChI :InChI=1/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
InChIKey :PZSJOBKRSVRODF-UHFFFAOYAK
SMILES :CC(=O)OC1=C(C=C(C=C1)C=O)OC
(EINECS) number :212-920-1
cas number :881-68-5
fema number :3108
coe number :225
jecfa number :890
fl. number :09.035
molar refractivity :51.02 ± 0.3 cm3
parachor :410.5 ± 4.0 cm3
index of refraction :1.539 ± 0.02
surface tension :40.5 ± 3.0 dyne/cm
density :1.193 ± 0.06 g/cm3
polarizability :20.22 ± 0.5 10-24cm3
xlogp : 1.20
molecular weight : 194.1840000
formula :C10 H10 O4
BioActivity Analysis :74191
 
 
fda reg :172.515 h. number :2916.35.1500
organoleptics : 
odor type :vanilla
odor strength :medium
odor description :
at 100.00 %.  
sweet creamy vanilla powdery heliotropin
taste description³ :at 40.00 ppm.  
Sweet, vanilla, creamy, powdery with a balsamic beany nuance
properties : 
appearence :white crystals
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 77.00 - 79.00 °C. @ 760.00 mm Hg
boiling point : 287.00 - 288.00 °C. @ 760.00 mm Hg
logp : 1.10
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 256.00  °F.  TCC  ( 124.44 °C. )
  
recommendation for vanillyl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for vanillyl acetate usage levels up to :
  40.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :212-920-1
chemidplus :000881685
epa-srs :881-68-5
dtp/nci :8499
  
other : 
 
references : 
pubchem :197492
NIST Chemistry WebBook :4144441378
  
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
synonyms :
 acetovanillin
4-acetoxy-3-methoxybenzaldehyde
4-(acetyl oxy)-3-methoxybenzaldehyde
 acetyl vanillin
 acetylvanillin
4-formyl-2-methoxyphenol acetate
4-formyl-2-methoxyphenyl acetate
3-methoxy-4-acetoxybenzaldehyde
 vanillin acetate
 vanillyl acetate
soluble in :
 alcohol
 ethyl ether
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 acetophenone
2-acetyl furan
 allspice oil
 amber carbinol
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 blood orange oil
 bois de rose oil
isobutyl benzoate
isobutyl cinnamate
 caramel furanone
 carnation absolute
 cassia bark oil
 chocolate pyrazine
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 coconut absolute
 coffee furanone
 coriander seed oil
 costus valerolactone
 coumarin
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanol
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
gamma-heptalactone
gamma-hexalactone
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 ionones
 labdanum resinoid
 lavender absolute
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl acetophenone
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
gamma-nonalactone
 nutmeg oil
 oakmoss absolute
 ocean propanal
gamma-octalactone
 orange oil
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry furanone
 strawberry glycidate 1
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 verymoss
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 absinthe
 acorn
 agate
 almond
 almond blossom
 amber
 amyris
 apple crabapple
 apricot
 arnica
 azalea
 balsam
 banana
 beeswax cire d'abeille
 benzoin
 blackberry
 blueberry
 boysenberry
 bramble arctic bramble blackberry
 bread
 briar sweet briar eglantine
 broom genet genista
 bubblegum
 butterscotch
 cabreuva
 candy cotton candy
 cappuccino
 caramel
 carnation dianthus oeillet
 cassia
 cassia blossom
 cassie acacia farnesiana
 cedar forest
 champaca champak
 cherry
 cherry black cherry
 cherry blossom
 chocolate cacao
 chocolate cocoa
 christmas blends
 chypre
 clove
 clove blossom
 coconut
 coconut tropical coconut
 coffee
 cookie
 coronilla
 crabapple blossom
 cream
 cream ice cream
 cream soda
 currant
 cyclamen
 dahlia
 daisy
 daphne
 date
 deertongue
 dillenia
 elderberry
 fagonia
 fantasy blends
 fenugreek
 fern fougere
 fig
 fir balsam
 flouve blossom
 forest
 frangipanni plumeria
 fruit tropical fruit
 ginger white ginger
 gingerbread
 gooseberry
 graham cracker
 grape
 grass sweet grass
 guaiacwood
 guava
 habuba
 hawthorn
 hay new mown hay foin coupe
 heather
 heliotrope
 hibiscus
 honey miel
 huckleberry bilberry
 immortelle helichrysum everlasting
 incense
 jackfruit
 kiwi blossom
 kumquat
 labdanum
 lemon
 lilac lilas syringa
 lime
 litsea cubeba
 loganberry dewberry
 lychee soapberry
 malt
 mango
 mango blossom
 marshmallow
 mastic
 meadow
 melon watermelon muskmelon cantaloupe
 milk malted milk
 mint
 molasses
 moss
 mulberry
 musk
 myrrh
 nectarine
 neroli
 opoponax
 orange
 orange blossom fleur d'oranger
 oriental
 papaya
 passion blossom
 passion fruit
 peach
 peach blossom
 pear
 pear blossom
 petunia
 phlox
 pina colada
 pineapple
 plum
 plum blossom
 pomegranate
 popcorn
 poppy
 powder
 praline
 prune
 pumpkin
 quince
 raisin
 raspberry
 redwood
 rootbeer
 rose d'orient
 rose moss rose
 rose tea rose
 rose white rose
 rose wild rose
 rum
 sandalwood
 sarsaparilla
 starfruit
 stephanotis
 stock evening scented stock
 straw
 strawberry
 sweet
 tamarind
 tangerine
 toasted
 tobacco tabac tabaco
 toffee
 tonka
 vanilla
 verbena verveine
 whiskey
 wistaria wisteria glycine
 woodruff asperula
 woody
natural occurrence in :
found in nature



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