violet propanol
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IUPAC name :3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
InChI :InChI=1/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3
InChIKey :HMENPFAAAQWASO-UHFFFAOYAN
SMILES :CC1CCCC(C1CC(C)C(C)O)(C)C
cas number :60241-53-4
(EINECS) number :262-117-5
molar refractivity :66.37 ± 0.3 cm3
parachor :577.5 ± 4.0 cm3
index of refraction :1.443 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.848 ± 0.06 g/cm3
polarizability :26.31 ± 0.5 10-24cm3
XlogP : 5.70
molecular weight : 212.3715200
formula :C14 H28 O
NMR Predictor :Predict
 
 
export tariff code :2906.19.5000
fda reg :unspecified

Suppliers :
Moellhausen :madranol
60-70% min. artifical kosher
Odor:  powerful sandalwood
Penta :methyltetrahydroionol
Symrise :Madranol®
Odor:  woody, somewhat cedarwood-like with ionone and ambergris shades

organoleptics :
odor type :woody
odor strength :medium
odor description :
at 100.00 %.  
woody violet

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91000 to 0.92000 @ 25.00 °C.
pounds per gallon - calc. : 7.572 to 7.655
refractive index :1.47000 to 1.48500 @ 20.00 °C.
boiling point : 125.00 °C. @ 3.00 mm Hg
boiling point : 101.00 to 103.00 °C. @ 0.80 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 5.20

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 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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    >2000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for violet propanol usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for violet 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
 
 
 
 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
(EINECS) number :262-117-5
chemidplus :060241534
EPA Substance Registry Services :60241-53-4

references :
 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
pubchem :685780

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 hexahydroiraldein
 madranol
 methyl tetrahydroionol
isomethyl tetrahydroionol
3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
alpha,beta-2,2,6-pentamethyl cyclohexane propanol
 timbranol

soluble in :
 alcohol
 water, 0.1 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 abies sibirica oil
beta-amberone
 ambrette seed oil
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisyl alcohol
 benzoin resinoid
 benzyl salicylate
 benzylidene acetone
 bois de rose oil
isobornyl acetate
 cananga oil
 caraway seed oil
 cardamom seed oil
 carrot seed oil
 cassia bark oil
 castoreum absolute
 cedarleaf oil
 cedarwood oils
 cedrela wood oil
 cinnamyl alcohol
 cistus oil
 clary sage oil
 copaiba balsam oil
 coriander seed oil
 costus valerolactone
 cypress oil
gamma-decalactone
 decanol
 dodecanal
 dodecanol
 elecampane absolute
 ethyl cinnamate
 ethyl laurate
isoeugenyl acetate
 fir balsam absolute
 fir needle oil
 floral pyranol
 frankincense oil
 ginger root oil
 green acetate
 guaiacwood oil
 gurjun balsam oil
 heliotropyl acetone
alpha-hexyl cinnamaldehyde
 indole
 ionones
 juniper berry oil
 labdanum resinoid
 lavandin oil
 lavender absolute
laevo-linalool
 machilus oil
 methyl cedryl ketone
 methyl ionones
 musks
 nerolidol
 nopyl acetate
 ocean propanal
 origanum oil
 orris absolute
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenyl dimethyl carbinol
3-phenyl propyl alcohol
 pine oil
 rosemary oil
 sage oil
 santall
 spike lavender oil
 spruce oil
alpha-terpinyl acetate
 tonka bean absolute
 treemoss absolute
10-undecen-1-al
 vanillin
 verymoss
 vetiver oil
 watermelon ketone
 woody acetate

(odor and/or flavor) used in :
 amber
 ambergris
 cedar
 floral
 violet
 woody

natural occurrence in :
not found in nature



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