para-anisaldehyde dimethyl acetal
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IUPAC name :1-(dimethoxymethyl)-4-methoxybenzene
InChI :InChI=1/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
InChIKey :NNHYAHOTXLASEA-UHFFFAOYAA
SMILES :COC1=CC=C(C=C1)C(OC)OC
cas number :2186-92-7
(EINECS) number :218-577-4
beilstein number :2048930
molar refractivity :50.60 ± 0.3 cm3
parachor :418.3 ± 4.0 cm3
index of refraction :1.486 ± 0.02
surface tension :31.7 ± 3.0 dyne/cm
density :1.033 ± 0.06 g/cm3
polarizability :20.06 ± 0.5 10-24cm3
XlogP : 1.70
XlogP3-AA : 1.50
molecular weight : 182.2163600 (IUPAC)
formula :C10 H14 O3
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Bedoukian Research :ANISALDEHYDE DIMETHYL ACETAL
≥98.5%, Kosher
Odor:  A mild, floral, hawthorn.
Penta :anisic aldehyde dma
Pfaltz & Bauer :Anisaldehyde dimethyl acetal
Sigma-Aldrich-Aldrich :Anisaldehyde dimethyl acetal
puriss., ≥98.5% (GC)
TCI AMERICA :p-Anisaldehyde Dimethyl Acetal
>95.0%(GC)

organoleptics :
odor type :floral
odor strength :low
odor description :¹
at 100.00 %.  
mild floral hawthorn jasmin lilac elderflower
odor sample from :Bedoukian Research, Inc.
substantivity :112  Hour(s)

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06300 to 1.07300 @ 25.00 °C.
pounds per gallon - calc. : 8.845 to 8.928
refractive index :1.49800 to 1.50800 @ 20.00 °C.
boiling point : 235.00 °C. @ 760.00 mm Hg
vapor pressure :0.04880 mm/Hg @ 25.00 °C.
flash point : 208.00  °F.  TCC  ( 97.78 °C. )
logP (o/w) : 2.15
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for para-anisaldehyde dimethyl acetal usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for para-anisaldehyde dimethyl acetal usage levels up to :
 not for flavor use.

safety references :
EPI System :view
IUCLID :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 1-(dimethoxymethyl)-4-methoxybenzene
(EINECS) number :218-577-4
chemidplus :002186927
EPA Substance Registry Services :2186-92-7

references :
 1-(dimethoxymethyl)-4-methoxybenzene
NIST Chemistry WebBook :2186927
pubchem :217364

other :
reference : Luebke, William tgsc, (1989)¹
synonyms :
 anisic aldehyde dimethyl acetal
 anisyl aldehyde dimethyl acetal
para-(dimethoxymethyl) anisole
1-(dimethoxymethyl)-4-methoxybenzene
4-methoxybenzaldehyde dimethyl acetal
para-methoxybenzaldehyde dimethyl acetal

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 acetanisole
 acetoin
 acetophenone
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 anethol
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl cinnamate
isobornyl acetate
 cassia bark oil
 celery seed oil
 cinnamyl alcohol
 citronellol
 costus valerolactone
 coumarin
 cuminaldehyde
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl salicylate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 flouve absolute
 geraniol
 heliotropin
 heliotropyl acetone
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hydroxycitronellal
 ionones
 lilyall
alpha-methyl cinnamaldehyde
 methyl isoeugenol
 musks
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
 neroli oil
 nerolidol
 nonanol
 ocean propanal
 orange oil
 patchouli ethanone
 petitgrain oil
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 raspberry ketone
 rose butanoate
 santall
 storax resinoid
alpha-terpineol
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 verymoss
 woody acetate
 ylang ylang oil

(odor and/or flavor) used in :
 acacia
 almond
 amber
 ambrene
 angel
 anise
 apple
 apres l'ondee
 apricot
 balsam
 banana
 bluebell
 boronia
 bouquet
 broom genet genista
 buchu
 butterscotch
 cassia
 cassie acacia farnesiana
 cherry
 cherry blossom
 christmas blends
 chypre
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cologne
 crabapple blossom
 elder blossom
 fennel
 fern fougere
 floral
 gardenia
 ginger white ginger
 gooseberry
 grape
 grass sweet grass
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 herbal
 hibiscus
 honey miel
 honeysuckle chevrefeuille
 hops houblon
 jasmin
 jonquil narcissus jonquilla
 lemon
 lilac lilas syringa
 lime
 linden blossom limeflower tilleul
 magnolia
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 modern
 modifier
 nut walnut
 orange
 orchid
 oriental
 pear
 peppermint
 pineapple
 powder
 raspberry
 sassafras
 spearmint
 strawberry
 sweet pea pois de senteur
 tuberose tubereuse
 tutti frutti
 vanilla
 violet
 wallflower giroflee
 wistaria wisteria glycine
 ylang ylang cananga

natural occurrence in :
not found in nature



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