lily propanol
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IUPAC name :2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
InChI :InChI=1/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
InChIKey :FYMOBFDUZIDKMI-UHFFFAOYAH
SMILES :CC1=CC(=CC=C1)CC(C)(C)CO
cas number :103694-68-4
(EINECS) number :403-140-4
molar refractivity :56.02 ± 0.3 cm3
parachor :452.6 ± 4.0 cm3
index of refraction :1.515 ± 0.02
surface tension :35.3 ± 3.0 dyne/cm
density :0.960 ± 0.06 g/cm3
polarizability :22.21 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 178.2707200 (IUPAC)
formula :C12 H18 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Moellhausen :majantol
98% min. nature identical kosher
Odor:  fresh, soft, intensely floral fragrance, lilies, slightly green and fruity top-note
Penta :2,2-dimethyl-3-(3-methylphenyl) propanol
Symrise :Majantol®
Odor:  fresh, soft, intensely floral, reminiscent of lilies of the valley
Vigon :Majantol
Odor:  FRESH, SOFT, INTENSELY FLORAL ODOR, REMINISCENT OF LILIES OF THE VALLEY.

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
floral lily of the valley green tropical
odor sample from :Fragrance Resources Inc.
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95500 to 0.96500 @ 25.00 °C.
pounds per gallon - calc. : 7.947 to 8.030
refractive index :1.51150 to 1.52150 @ 20.00 °C.
melting point : 22.00 °C. @ 760.00 mm Hg
boiling point : 275.00 to 276.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.04

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
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) :
  Oral-Rat    >2000.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for lily propanol usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for lily propanol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
(EINECS) number :403-140-4
chemidplus :103694684
EPA Substance Registry Services :103694-68-4

references :
 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
pubchem :753147

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1996)¹
CosIng :cosmetic data
synonyms :
2,2-dimethyl-3-(3-methyl phenyl) propanol
2,2-dimethyl-3-(3-methyl phenyl)-1-propanol
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
3-(2,2-dimethyl-3-hydroxypropyl)toluol
 majantol
 trimethyl benzene propanol
beta,beta,3-trimethyl benzene propanol
 trimethylbenzenepropanol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 algae absolute
 allyl amyl glycolate
 allyl cyclohexyl propionate
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 basil oil
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
isobutyl cinnamate
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarleaf oil
 cedarwood oils
 chocolate pyrazine
 cinnamyl alcohol
 cistus oil
 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
gamma-decalactone
 decanal
 decanol
9-decen-1-al
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fennel seed oil
 fir balsam absolute
 fir needle oil
 frankincense oil
 galbanum oil
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl benzoate
(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
 hyacinth ether
 hydroxycitronellal
 ionones
2,4-ivy carbaldehyde
 juniper berry oil
 labdanum resinoid
 lavender absolute
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 marine pyridine
 melon heptenal
 melon nonenoate
 methyl anthranilate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 mimosa absolute
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 narcissus absolute
 nerol
 nerolidol
 neryl acetate
gamma-nonalactone
 nonanal
 nonanol
 oakmoss absolute
 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 propionate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
 strawberry furanone
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 undecanol
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 floral
 fruit
 green
 muguet lily of the valley
 musk

natural occurrence in :
not found in nature



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