muguet propanol
 
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IUPAC name :3-cyclohexyl-2,2-dimethylpropan-1-ol
InChI :InChI=1/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey :VNGAHMPMLRTSLF-UHFFFAOYAY
SMILES :CC(C)(CC1=CC=CC=C1)CO
(EINECS) number :236-400-9
cas number :13351-61-6
molar refractivity :51.20 ± 0.3 cm3
parachor :415.0 ± 4.0 cm3
index of refraction :1.516 ± 0.02
surface tension :36.1 ± 3.0 dyne/cm
density :0.969 ± 0.06 g/cm3
polarizability :20.29 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 164.2441400
formula :C11 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Symrise :Muguetalcohol

organoleptics :
odor type :floral
odor strength :low
odor description :
at 100.00 %.  
floral lily of the valley woody
substantivity :160  Hour(s)

properties :
appearence :colorless crystals
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97200 to 9.82000 @ 25.00 °C.
pounds per gallon - calc. : 8.088 to 81.712
refractive index :1.51450 to 1.52450 @ 20.00 °C.
melting point : 34.00 to 35.00 °C. @ 760.00 mm Hg
logp : 2.93

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 212.00  °F.  TCC  ( 100.00 °C. )
recommendation for muguet propanol usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for muguet propanol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 3-cyclohexyl-2,2-dimethylpropan-1-ol
(EINECS) number :236-400-9
chemidplus :013351616
EPA Substance Registry Services :13351-61-6
NLM Chemical Carcinogenesis Research Information System :13351-61-6
NLM Developmental and Reproductive Toxicity :13351-61-6
NLM Env. Mutagen Info. Center :13351-61-6
NLM GENetic TOXicology :13351-61-6

references :
 3-cyclohexyl-2,2-dimethylpropan-1-ol
pubchem :660289
NIST Chemistry WebBook :2673018222

other :
synonyms :
beta,beta-dimethyl benzene propanol
2,2-dimethyl-3-phenyl propan-1-ol
2,2-dimethyl-3-phenyl propanol
 muguet alcohol
 muguet propanol
 phenyl neopentanol

soluble in :
 alcohol

insoluble in :
 water

stability :
 antiperspirant
 detergent
 fabric softener
 soap

(odor and/or flavor) blends with :
 abies alba mill oil
 acetaldehyde ethyl phenethyl acetal
 agarwood oil
 allyl amyl glycolate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl alcohol
 armoise oil
 basil oil
 bay leaf oil
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 bitter orange oil
 blood orange oil
 bois de rose oil
 boronia absolute
isobutyl cinnamate
isobutyl salicylate
 callitropsis oil
 caraway seed oil
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 cinnamyl butyrate
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coconut absolute
 cognac oil
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
 decanol
 decyl acetate
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl heptanoate
 ethyl maltol
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 fir needle oil
 floral pyranol
 flouve absolute
 frankincense oil
 galbanum oil
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 ginger root oil
 grapefruit oil
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 hyssop oil
 immortelle absolute
 ionones
 ivy absolute
 labdanum resinoid
 lavandin oil
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 mace oil
 machilus oil
 mandarin oil
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl anthranilate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl octine carbonate
2-methyl undecanal
 mimosa absolute
 muguet carboxaldehyde
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerol
 neroli oil
 nerolidol
 neryl acetate
 nonanal
 nonanol
 nopyl acetate
 nutmeg oil
 oakmoss absolute
 ocean propanal
 octanal
 orange oil
 orangeflower absolute
 origanum oil
 orris absolute
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 peru balsam oil
 petitgrain lemon oil
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl phenyl acetate
 phenethyl propionate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 rose oxides
 sandalwood oil
 santall
 spearmint oil
 spruce oil
 storax resinoid
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 tobacco dodecane
 tolu balsam
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verbena oil
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 fixer
 floral
 gardenia
 jasmin
 lilac lilas syringa
 lily
 lily tiger lily
 magnolia
 muguet lily of the valley

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008