dimethyl benzyl carbinyl acetate
Notes :
Adds a floral fresh note to floral fragrances. new car accord: 0.01 - dimethyl benzyl carbinyl acetate 0.01 - alpha-ionone 0.05 - heptyl cyclopentanone 0.01 - musk gx 0.05 - aldehyde C-14 0.01 - dihydroisojasmonate
 
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IUPAC name :(2-methyl-1-phenylpropan-2-yl) acetate
InChI :InChI=1/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey :FLUWAIIVLCVEKF-UHFFFAOYAP
SMILES :CC(=O)OC(C)(C)CC1=CC=CC=C1
(EINECS) number :205-781-3
cas number :151-05-3
beilstein number :1941670
fema number :2392
coe number :2077
jecfa number :1655
fl. number :09.227
molar refractivity :56.07 ± 0.3 cm3
parachor :462.8 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :1.002 ± 0.06 g/cm3
polarizability :22.22 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 192.2542400
formula :C12 H16 O2
BioActivity Analysis :99571
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet floral fruity rose jasmin green
substantivity :44  Hour(s)
properties : 
appearence :white to pale yellow crystalline solid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99500 - 1.00300 @ 25.00 °C.
pounds per gallon - calc. : 8.279 to 8.346
refractive index :1.49000 - 1.49500 @ 20.00 °C.
melting point : 29.50 °C. @ 760.00 mm Hg
boiling point : 250.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.91
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) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    3300.00  mg/kg  FCTXAV  12,533,1974
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 205.00  °F.  TCC  ( 96.11 °C. )
  
recommendation for dimethyl benzyl carbinyl acetate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for dimethyl benzyl carbinyl acetate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :205-781-3
rtecs :SG8100000 for 151-05-3
chemidplus :000151053
epa-srs :151-05-3
dtp/nci :46123
  
other : 
  C of A
references : 
pubchem :152205
NIST Chemistry WebBook :2871196901
  
synonyms :
 benzyl dimethyl carbinol acetate
 benzyl dimethyl carbinyl acetate
 benzyl propyl acetate
2-benzyl-2-propyl acetate
alpha,alpha-dimethyl benzene ethyl acetate
 dimethyl benzyl carbinol acetate
 dimethyl benzyl carbinyl acetate
alpha,alpha-dimethyl phenethyl acetate
alpha,alpha-dimethyl phenethyl alcohol acetate
alpha,alpha-dimethyl phenyl ethyl acetate
soluble in :
 alcohol
 fixed oils
 isopropyl myristate
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 acetoin
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
isobutyl cinnamate
 cassia bark oil
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 costus valerolactone
para-cresyl caprylate
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
gamma-decalactone
 decanal
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 fir needle oil
 floral pyranol
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit oil
 green acetate
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 hexyl tiglate
 hyacinth ether
 ionones
 labdanum resinoid
 leaf acetal
 leerall
 lilyall
 linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl anthranilate
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 mimosa absolute
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 neryl acetate
 nonanal
 nonanol
 nutmeg oil
 ocean propanal
 orange oil
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 rose oxides
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
 tetrahydromyrcenol
 tobacco dodecane
para-tolyl aldehyde
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene
 ylang ylang oil
(odor and/or flavor) used in :
 agrumen
 almond blossom
 amber
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 balsam
 blossom
 blossom tropical blossom
 boronia
 brandy
 butterscotch
 carrot seed
 cedar forest
 cherry blossom
 chestnut blossom
 clematis
 clove blossom
 clover trefle le'trefle incarnat
 crabapple blossom
 cranberry
 cyclamen
 daffodil narcissus
 dahlia
 daisy
 daphne
 davana
 dillenia
 fagonia
 fetes
 fig
 floral
 flouve blossom
 freesia
 fruit dried fruit
 fruit jam
 fruit tropical fruit
 gardenia
 green
 herbal
 hibiscus
 honey miel
 hugonia
 hyacinth jacinthe
 hydrangea
 immortelle helichrysum everlasting
 ivy leaf
 jasmin
 jonquil narcissus jonquilla
 kewda
 kiwi blossom
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 mango blossom
 marigold tagete
 millefleurs
 muguet lily of the valley
 mulberry
 myrtle
 new car
 orange blossom fleur d'oranger
 orchid
 oriental
 pansy
 passion blossom
 peach
 peach blossom
 pear blossom
 peony
 petunia
 phlox
 plum blossom
 plum mirabille blossom
 poison
 poppy
 poppy red poppy
 powder
 privet blossom
 rain
 raspberry
 rhubarb
 rose
 rose tea rose
 rose wild rose
 rue
 spice
 stock evening scented stock
 sweet pea pois de senteur
 tea
 tide
 tropical
 tuberose tubereuse
 tulip
 vanilla
 violet
 wistaria wisteria glycine
natural occurrence in :
not found in nature



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