para-menth-1-ene-9-ol
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IUPAC name :2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
InChI :InChI=1/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3
InChIKey :ZTYHGIAOVUPAAH-UHFFFAOYAL
SMILES :CC1=CCC(CC1)C(C)CO
cas number :18479-68-0
(EINECS) number :242-366-6
fema number :4508
molar refractivity :47.37 ± 0.3 cm3
parachor :397.7 ± 6.0 cm3
index of refraction :1.478 ± 0.02
surface tension :31.9 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :18.78 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 154.2493200
formula :C10 H18 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :(+)-p-Menth-1-en-9-ol,mixture of isomers
(R,R)-isomer ~67%, (R,S)-isomer ~33%, 97%

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
fruity herbal

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94100 @ 25.00 °C.
refractive index :1.48600 @ 20.00 °C.
boiling point : 115.00 to 116.00 °C. @ 10.00 mm Hg
boiling point : 222.00 to 224.00 °C. @ 760.00 mm Hg
flash point : 218.00  °F.  TCC  ( 103.33 °C. )
logP (o/w) : 2.89

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

safety in use :
 
recommendation for para-menth-1-ene-9-ol usage levels up to :
  3.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.100000.50000
beverages(alcoholic) : 0.200001.00000
breakfast cereal : --
cheese : --
chewing gum : 1.000005.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : 0.200001.00000
granulated sugar : --
gravies : --
hard candy : 0.500002.50000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
(EINECS) number :242-366-6
chemidplus :018479680
EPA Substance Registry Services :18479-68-0

references :
 2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
NIST Chemistry WebBook :1808378205
pubchem :663600

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
beta,4-dimethyl cyclohex-3-ene-1-ethanol
2-(4-methyl cyclohex-3-en-1-yl)propan-1-ol
2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
2-(4-methylcyclohex-3-en-1-yl)propan-1-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 cuminyl acetate
 diethyl malate
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 geranyl tiglate
(E)-2-hexenoic acid
 hexyl tiglate
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanone
3-octanon-1-ol
 orris capronate
beta-sesquiphellandrene
 rose undecene
 rue flower oil colombia
 rue oil
 rue oil cuba
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
 tricyclodecenyl propionate
 viridiflorol

natural occurrence in :
bilberry
tangerine oil



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Html Last modified 08/05/2009