dimethyl benzyl carbinol
 
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IUPAC name :2-methyl-1-phenylpropan-2-ol
InChI :InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey :RIWRBSMFKVOJMN-UHFFFAOYAK
SMILES :CC(C)(CC1=CC=CC=C1)O
(EINECS) number :202-896-0
cas number :100-86-7
beilstein number :1855608
fema number :2393
coe number :84
jecfa number :1653
fl. number :02.035
molar refractivity :46.56 ± 0.3 cm3
parachor :375.2 ± 4.0 cm3
index of refraction :1.521 ± 0.02
surface tension :36.3 ± 3.0 dyne/cm
density :0.982 ± 0.06 g/cm3
polarizability :18.46 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 150.2175600
formula :C10 H14 O
BioActivity Analysis :71375
 
 
export tariff code :2906.29.0000
fda reg :unspecified
 

Suppliers :
International Flavors & Fragrances :Dimethyl Benzyl Carbinol
≥97% (major peak)
Sigma-Aldrich-SAFC :2-Methyl-1-phenyl-2-propanol
98%

organoleptics :
odor type :floral
odor strength :low
odor description :¹ :
at 100.00 %.  
clean floral green rose cortex oily rhubarb
substantivity :6 hour(s) at 100.00 %

properties :
appearence :colorless to pale yellow clear liquid to solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97300 to 0.97600 @ 25.00 °C.
pounds per gallon - calc. : 8.096 to 8.121
refractive index :1.51200 to 1.51800 @ 20.00 °C.
melting point : 23.00 to 24.00 °C. @ 760.00 mm Hg
boiling point : 215.00 °C. @ 760.00 mm Hg
boiling point : 108.00 °C. @ 11.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.44
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    1280.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  12,531,1974
flash point ( Deg. F. ) : 182.00  °F.  TCC  ( 83.33 °C. )
recommendation for dimethyl benzyl carbinol usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for dimethyl benzyl carbinol usage levels up to :
  5.0000 ppm in the flavor.

safety references :
msds :msds
EPI System :view
 
 
 2-methyl-1-phenylpropan-2-ol
(EINECS) number :202-896-0
RTECS :SG8050000 for 100-86-7
chemidplus :000100867
EPA Substance Registry Services :100-86-7
NLM Chemical Carcinogenesis Research Information System :100-86-7
NLM Developmental and Reproductive Toxicity :100-86-7
NLM Env. Mutagen Info. Center :100-86-7
NLM GENetic TOXicology :100-86-7
dtp/nci :5236

references :
 2-methyl-1-phenylpropan-2-ol
jecfa number :1653
fl. number :02.035
pubchem :150609
NIST Chemistry WebBook :2602902634
reference : Luebke, William tgsc, (2007)¹

other :
 C of A
synonyms :
 benzyl dimethyl carbinol
 benzyl propyl alcohol
2-benzyl-2-propanol
alpha,alpha-dimethyl benzene ethanol
 dimethyl benzyl carbinol
alpha,alpha-dimethyl phenethanol
alpha,alpha-dimethyl phenethyl alcohol
1,1-dimethyl phenyl ethanol
alpha,alpha-dimethyl phenyl ethyl alcohol
1,1-dimethyl-2-phenyl ethanol
2-hydroxy-2-methyl-1-phenyl propane
2-methyl-1-phenyl propan-2-ol
2-methyl-1-phenyl-2-propanol
beta-phenyl-tert-butyl alcohol

soluble in :
 fixed oils
 paraffin oil
 propylene glycol
 water, slightly

insoluble in :
 water
 glycerin

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 :
 allyl cyclohexyl propionate
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl alcohol
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
isobutyl cinnamate
 carrot seed oil
 cassia bark oil
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
 decanol
 decyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 galbanum oil
 gardenia oxide
 geraniol
 gurjun balsam oil
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 indole
 labdanum resinoid
 leaf acetal
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 mastic resin
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl dihydrojasmonate
 methyl ionones
 mimosa absolute
 musks
 nerolidol
 nonanal
 nonanol
 ocean propanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 petitgrain oil
 phenethyl alcohol
 phenyl acetaldehyde
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
para-tolyl acetate
para-tolyl isobutyrate
para-tolyl phenyl acetate
 tonka bean absolute
gamma-undecalactone
 undecanol
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody propanol

(odor and/or flavor) used in :
 aldehydic
 algae
 amaryllis
 animal
 apple
 apple blossom
 apple crabapple
 artichoke
 ash mountain ash
 ash mountain ash blossom
 balsam
 bark
 bayberry
 bouquet
 calamus
 carnation dianthus oeillet
 carrot seed
 cassie acacia farnesiana
 cassis black currant bud
 cedar forest
 celery
 chamomile
 champaca champak
 chrysanthemum chrysantheme
 cigar box
 cilantro
 clary sage
 clean
 clematis
 coriander
 cortex
 costus
 crabapple blossom
 cranberry
 cucumber
 cyclamen
 cypress
 daffodil narcissus
 dahlia
 daisy
 daphne
 date
 davana
 diffusion
 dillenia
 earth humus
 elderberry
 evergreen
 fern fougere
 fig
 fir balsam
 fir needle
 flouve
 flower
 foliage
 fruit dried fruit
 galanga
 gardenia
 geranium
 green
 hair
 herbal
 honeysuckle chevrefeuille
 hugonia
 hyacinth jacinthe
 hydrangea
 iris blossom
 ivy leaf
 jasmin
 jonquil narcissus jonquilla
 juniperberry
 leaf
 leaf autumn leaf
 leather
 lettuce
 lilac lilas syringa
 lily
 liverwort
 mango
 marjoram
 mate
 mimosa wattle
 muguet lily of the valley
 myrrh
 narcissus narcisse
 new car
 nut
 oakwood
 ocean sea
 orange bitter orange
 orris iris
 osmanthus
 pansy
 parsley
 parsnip
 patchouli
 pear
 pear prickly pear
 petal flower petal
 petunia
 pine
 poppy
 privet
 privet blossom
 quince
 rain
 reseda mignonette
 rhubarb
 rose
 rose d'orient
 rose geranium
 rose leaf
 rose tea rose
 rose white rose
 saffron
 sage
 seaweed
 seedy
 sherry
 spruce
 stem
 stephanotis
 straw
 tamarind
 tea
 timber
 tobacco tabac tabaco
 tonka
 truffle
 tulip
 valerian
 vegetation tropical hothouse vegetation
 vetiver
 vine
 wallflower giroflee
 weedy
 wistaria wisteria glycine
 woody
 wormwood absinthium
 yew
 ylang ylang cananga

natural occurrence in :
found in nature



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