homomenthol
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Notes :
Menthol replacer.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :3,3,5-trimethylcyclohexan-1-ol
InChI :InChI=1/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChIKey :BRRVXFOKWJKTGG-UHFFFAOYAP
SMILES :CC1CC(CC(C1)(C)C)O
cas number :116-02-9
(EINECS) number :204-122-7
beilstein number :2203314
fema number :3962
jecfa number :1099
fl. number :02.209
molar refractivity :43.29 ± 0.3 cm3
parachor :369.3 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.878 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 142.2386200 (IUPAC)
formula :C9 H18 O
BioActivity Analysis :70407
NMR Predictor :Predict
 
 
export tariff code :2906.11.0000
fda reg :unspecified
Suppliers :
Inoue :3,3,5-TRIMETHYLCYCLOHEXANOL
Penta :3,3,5-trimethylcyclohexanol
Sigma-Aldrich-Aldrich :3,3,5-Trimethylcyclohexanol
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Vigon :Trimethyl-3 3 5 Cyclohexanol
Mixed Isomers
organoleptics :
odor type :minty
odor strength :medium
odor description:
at 100.00 %.  		mint cool musty spicy
Luebke, William tgsc, (1986)
odor sample from :Berje Inc.
substantivity :20  Hour(s)
properties :
appearence :white crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 32.00 to 35.00 °C. @ 760.00 mm Hg
boiling point : 80.00 °C. @ 20.00 mm Hg
boiling point : 193.00 to 196.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.10000 mm/Hg @ 20.00 °C.
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 2.87
safety :
most important hazard(s) :Xi - Irritant
  R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to 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   [sex: M,F]  3250.00  mg/kg
(Smyth & Carpenter, 1948)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  2800.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for homomenthol fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
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
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,3,5-trimethylcyclohexan-1-ol
(EINECS) number :204-122-7
chemidplus :000116029
EPA Substance Registry Services :116-02-9
dtp/nci :4008
references :
 
3,3,5-trimethylcyclohexan-1-ol
fl. number :02.209
jecfa number :1099
NIST Chemistry WebBook :3206517316
pubchem :151435
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cyclonol
 dihydroisophorol
homomenthol
1-methyl-3-dimethyl cyclohexanol-5
3,3,5-trimethyl cyclohexan-1-ol
3,3,5-trimethyl cyclohexanol
3,3,5-trimethyl-1-cyclohexanol
3,3,5-trimethylcyclohexan-1-ol
3,3,5-trimethylcyclohexanol
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 armoise oilFR
3-benzylidene-2-butanoneFL/FR
 borneolFL/FR
dextro-borneolFL/FR
isoborneolFL/FR
laevo-borneolFL/FR
isobornyl acetateFL/FR
isobornyl formateFL/FR
 bornyl isobutyrateFL/FR
(-)-bornyl isovalerateFL/FR
isobornyl isovalerateFL/FR
isobornyl methyl etherFR
isobornyl propionateFL/FR
 bornyl valerateFL/FR
 buchu leaf oilFL/FR
2-tert-butyl cyclohexanoneFR
 butyrophenoneFL/FR
 cajuput oil vietnamFL/FR
(+)-campheneFL/FR
 camphene hydrate 
 camphenilone 
alpha-campholenic alcoholFL/FR
(±)-camphorFL/FR
dextro-camphorFL/FR
 camphor oilFL/FR
 cardamom seed oilFL/FR
 carvacrolFL/FR
 cedarleaf oil terpenelessFR
 chamomile oil moroccoFR
 cherry propanolFL/FR
1,4-cineoleFL/FR
1,8-cineoleFL/FR
 cubeb oleoresinFL
beta-homocyclocitralFL/FR
 dihydrolinaloolFL/FR
 epoxyoxophoroneFL
2,10-epoxypinaneFR
2-ethyl fencholFL/FR
 eucalyptus oilFL/FR
 fenchoneFL/FR
dextro-fenchoneFL/FR
laevo-fenchoneFL/FR
 fenchyl alcoholFL/FR
 fennel seed oil bitter spainFL/FR
 feverfew leaf oil belgium 
 galangal root oilFL/FR
 geranic oxideFL/FR
 herbal dioxaneFR
 herbal ethanoneFR
 herbal undecanolFR
 hinoki leaf oilFR
 hinoki root oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 laurel bark oil 
 laurel berry absoluteFL/FR
 laurel berry oilFL/FR
 laurel leaf absoluteFL/FR
 laurel leaf concreteFR
 laurel leaf oilFL/FR
 laurel leaf oil turkeyFL/FR
 laurel stem oil 
 lavandin concreteFL/FR
 lavandin oilFL/FR
 lavender oil spike franceFL/FR
 lavender oil spike spainFL/FR
 lavender spike absoluteFL/FR
 linalool oxide (furanoid)FL/FR
 marjoram absolute spain 
 marjoram oilFL/FR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet egyptFL/FR
dextro-neomentholFL/FR
isomenthoneFL/FR
laevo-menthoneFL/FR
laevo-monomenthyl glutarateFL
 menthyl propylene glycol carbonateFL
 methyl cyclogeranateFR
3-methyl cyclohexanoneFL
 methyl ethyl ketoneFL
1-methyl naphthaleneFL
2-methyl-3-butanoneFL
 myrtenalFL/FR
 myrtle oilFL/FR
 niaouli oilFR
 ocimene quintoxideFL/FR
 origanum oilFL/FR
 origanum oil turkeyFL/FR
 orris hexanoneFR
 patchouli ethanolFR
 patchouli hexanolFR
 patchouli indeneFR
 peppermint cyclohexanoneFL/FR
(Z,Z)-photocitral AFL
 pine hexanolFR
alpha-pineneFL/FR
 pinocarveolFL/FR
 piperitoneFL/FR
 pulegoneFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil egyptFL/FR
 rosemary oil moroccoFL/FR
 sage absolute spainFL/FR
 sage oil spainFL/FR
 sandal glycol acetalFR
 sassafras oilFL/FR
 sugandha kokila berry oil 
 thujyl alcoholFL/FR
 thyme oilFL/FR
 thyme oil whiteFL/FR
 thymolFL/FR
 verbenoneFL/FR
laevo-verbenoneFL/FR
 WS-5FL
 xanthoxylin 
 yarrow oilFL/FR
 yarrow oil greeceFL/FR
 yarrow oil hungaryFL/FR
 zedoary bark oilFL/FR
 zvoulimba oilFR
potential uses :
 camphor
 cistus
 cool
 eucalyptus
 hay new mown hay foin coupe
 herbal
 mint
 pennyroyal
 peppermint
natural occurrence in :    note
 not found in nature  

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