geranium cyclohexane
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI :InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
InChIKey :LMXFTMYMHGYJEI-UHFFFAOYAL
SMILES :CC1CCC(C(C1)O)C(C)(C)O
(EINECS) number :255-953-7
cas number :42822-86-6
fema number :4053
jecfa number :1416
molar refractivity :49.06 ± 0.3 cm3
parachor :425.1 ± 6.0 cm3
index of refraction :1.486 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :1.009 ± 0.06 g/cm3
polarizability :19.45 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
IUPAC name :(1)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol
InChI :InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey :ZYTMANIQRDEHIO-KXUCPTDWBO
SMILES :C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C
(EINECS) number :256-557-7
cas number :50373-36-9
molar refractivity :47.34 ± 0.3 cm3
parachor :397.2 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.5 ± 3.0 dyne/cm
density :0.912 ± 0.06 g/cm3
polarizability :18.76± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 154.2493200
formula :C10 H18 O
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
geranium rose fruity
substantivity :20  Hour(s)
properties : 
appearence :yellow to orange clear liquid
assay : 80.00 - 100.00 %   
Food Chemicals Codex Listed :No
logp : 2.40
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 75.00  °F.  TCC  ( 23.89 °C. )
  
recommendation for geranium cyclohexane usage levels up to :
  5.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :255-953-7
chemidplus :042822866
epa-srs :42822-86-6
  
(EINECS) number :256-557-7
chemidplus :050373369
epa-srs :50373-36-9
  
other : 
 
references : 
jecfa number :1416
pubchem :3741866
  
pubchem :748355
  
synonyms :
 geranium cyclohexane
 geranodyle
1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methyl cyclohexane
2-hydroxy-alpha,alpha,4-trimethyl cyclohexane methanol
(±)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methyl vinyl) cyclohexan-1-ol
 reaction mixture containing 1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methyl cyclohexane
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl isononylate
 benzyl isobutyrate
 butyl angelate
 cassis buteneone
 citronellal diisotridecyl acetal
laevo-citronellol
 citronellyl acetate
laevo-citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
(E)-citronellyl tiglate
beta-damascenone
delta-damascone
 dibutyl sulfide
 dihydrorose oxide
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 floral pyran
 geraniol
 geranium nitrile
 geranium oil egypt
 geranyl butyrate
 geranyl hexanoate
 geranyl isobutyrate
 geranyl octanoate
 geranyl propionate
 geranyl tiglate
 geranyl valerate
 hexyl phenyl acetate
 linalyl formate
 musk acetate
 octyl formate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
 rhodinyl butyrate
 rhodinyl propionate
 santalyl butyrate
(odor and/or flavor) used in :
 floral
 fruit
 geranium
 herbal
 rose
natural occurrence in :
found in nature



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