muguet carbinol
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IUPAC name :4-cyclohexyl-2-methylbutan-2-ol
InChI :InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey :YXVSKJDFNJFXAJ-UHFFFAOYAR
SMILES :CC(C)(CCC1=CC=CC=C1)O
cas number :103-05-9
(EINECS) number :203-074-4
beilstein number :2076770
fema number :3629
coe number :10281
jecfa number :1477
fl. number :02.108
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 : 2.60
molecular weight : 164.2441400 (IUPAC)
formula :C11 H16 O
BioActivity Analysis :109435
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Berje :Dimethyl Phenyl Ethyl Carbinol
John D. Walsh :Dimethyl Phenyl Ethyl Carbinol
Moellhausen :dimethyl phenylethyl carbinol
98% min. artifical kosher
Odor:  sweet, aromatic, floral (note of lily of the valley)
Flavor:  fresh aromatic, floral
Penta :dimethyl phenyl ethyl carbinol
Sigma-Aldrich-Aldrich :2-Methyl-4-phenyl-2-butanol
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Vigon :Dimethyl Phenyl Ethyl Carbinol
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		clean fresh green rose linalool lily violet
odor sample from :Fragrance Resources Inc.
odor description³ :
at 1.00 %.  		Clean, fresh, floral reminiscent of rose and violet
taste description³ :
at 10.00 - 40.00 ppm.  		Floral, rosy, oily with a slight fruity nuance
substantivity :244  Hour(s)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95700 to 0.96500 @ 25.00 °C.
pounds per gallon - calc. : 7.963 to 8.030
specific gravity :0.95800 to 0.96600 @ 20.00 °C.
pounds per gallon - calc. : 7.981 to 8.047
refractive index :1.50800 to 1.51300 @ 20.00 °C.
melting point : 24.00 to 26.00 °C. @ 760.00 mm Hg
boiling point : 144.00 °C. @ 85.00 mm Hg
boiling point : 238.00 °C. @ 760.00 mm Hg
congealing point :26.00 °C.
acid value : 1.00  max.  KOH/g
flash point : 261.00  °F.  TCC  ( 127.22 °C. )
logP (o/w) : 2.58
safety :
most important hazard(s) :Xi - Irritant
  R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    2200.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  3500.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
Category :flavor and fragrance agents
 
recommendation for muguet carbinol fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for muguet carbinol flavor usage levels up to :
  40.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
4-cyclohexyl-2-methylbutan-2-ol
(EINECS) number :203-074-4
RTECS :EL5785000 for cas# 103-05-9
chemidplus :000103059
EPA Substance Registry Services :103-05-9
dtp/nci :62145
references :
 
4-cyclohexyl-2-methylbutan-2-ol
fl. number :02.108
jecfa number :1477
NIST Chemistry WebBook :863401415
pubchem :150713
Cosmetics :
Cosmetic uses : masking agents
perfuming agents
other :
reference : Luebke, William tgsc, (1989)¹
reference : Mosciano, Gerard P&F 25, No. 6, 26, (2000)³
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzyl-tert-butanol
 carbinol muguet
4-cyclohexyl-2-methylbutan-2-ol
alpha,alpha-dimethyl benzene propanol
 dimethyl phenethyl carbinol
 dimethyl phenyl ethyl carbinol
1,1-dimethyl-3-phenyl propanol
1,1-dimethyl-3-phenyl propyl alcohol
1,1-dimethyl-3-phenyl-1-propanol
alpha,alpha-dimethyl-gamma-phenyl propyl alcohol
2-methyl-4-phenyl-2-butanol
2-methyl-4-phenyl butan-2-ol
 muguet carbinol
 phenethyl dimethyl carbinol
2-phenethyl-2-propanol
2-phenyl ethyl-2-propanol
2-(2-phenyl ethyl)-2-propanol
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
 ambroxanFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
isobutyl cinnamateFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 costus valerolactoneFR
 coumarinFR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl hydroquinoneFL/FR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl formateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 gurjun balsam oilFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 labdanum resinoidFR
 leaf acetalFL/FR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 mastic resinFR
 melon heptenalFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 musks 
 nerolidolFL/FR
3,6-nonadien-1-olFL/FR
 nonanalFL/FR
 nonanolFL/FR
(E)-2-nonen-1-olFL/FR
 nonyl acetateFL/FR
2-nonyn-1-al dimethyl acetalFR
 ocean propanalFL/FR
 orris absoluteFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
(Z)-rose oxideFL/FR
 santallFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet dienyneFR
 violet methyl carbonateFR
 violet nitrileFR
 watermelon ketoneFR
 woody acetateFR
 woody propanolFR
potential uses :
 aldehydic
 algae
 amaryllis
 animal
 apple
 apple blossom
 apple crabapple
 artichoke
 ash mountain ash
 ash mountain ash blossom
 balsam
 bark
 bayberry
 bergamot
 berry
 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
 citrus
 clary sage
 clean
 clematis
 coriander
 cortex
 costus
 crabapple blossom
 cranberry
 cucumber
 cyclamen
 cypress
 daffodil narcissus
 dahlia
 daisy
 daphne
 date
 davana
 dillenia
 earth humus
 elderberry
 evergreen
 fern fougere
 fig
 fir balsam
 fir needle
 flouve
 flower
 foliage
 freesia
 fruit
 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
 peony
 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
 spruce
 stem
 stephanotis
 straw
 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 :    note
 not found in nature  

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