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 (IUPAC)
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 fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for violet propanol flavor 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
RIFM :listed
FMA :listed
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
 violet propanol

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

insoluble in :
 water

potential blenders :
 abies sibirica oilFL/FR
beta-amberoneFL/FR
 ambrette seed oilFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
 bois de rose oilFL/FR
isobornyl acetateFL/FR
 cananga oilFL/FR
 caraway seed oilFL/FR
 cardamom seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 castoreum absoluteFL/FR
 cedarleaf oilFL/FR
 cedarwood oils 
 cedrela wood oilFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 clary sage oilFL/FR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 cypress oilFR
gamma-decalactoneFL/FR
 decanolFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 elecampane absoluteFL
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 ginger root oilFL/FR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 indoleFL/FR
 ionones 
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
laevo-linaloolFL/FR
 machilus oil 
 methyl cedryl ketoneFL/FR
 methyl ionones 
 musks 
 nerolidolFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 origanum oilFL
 orris absoluteFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 phenethyl alcoholFL/FR
 phenyl dimethyl carbinol 
3-phenyl propyl alcoholFL/FR
 pine oil 
 rosemary oilFL/FR
 sage oilFL/FR
 santallFR
 spike lavender oilFL/FR
 spruce oilFL/FR
alpha-terpinyl acetateFL/FR
 tonka bean absoluteFR
 treemoss absoluteFR
10-undecen-1-alFL/FR
 vanillinFL/FR
 verymossFR
 vetiver oilFL/FR
 watermelon ketoneFR
 woody acetateFR

potential uses :
 amber
 ambergris
 cedar
 floral
 violet
 woody

natural occurrence in :
 not found in nature  



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