geosmin
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
InChI :InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3
InChIKey :JLPUXFOGCDVKGO-UHFFFAOYAM
SMILES :CC1CCCC2(C1(CCCC2)O)C
(EINECS) number :245-590-2
cas number :23333-91-7
molar refractivity :54.97 ± 0.3 cm3
parachor :460.7 ± 4.0 cm3
index of refraction :1.506 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :0.985 ± 0.06 g/cm3
polarizability :21.79 ± 0.5 10-24cm3
xlogp : 3.30
molecular weight : 182.3024800
formula :C12 H22 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :earthy
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
freshly plowed soil earthy
substantivity :68  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
Food Chemicals Codex Listed :No
specific gravity :1.01800 - 1.02300 @ 25.00 °C.
pounds per gallon - calc. : 8.471 to 8.512
boiling point : 251.00 - 252.00 °C. @ 760.00 mm Hg
logp : 3.85
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for geosmin usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for geosmin usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :245-590-2
chemidplus :023333917
epa-srs :23333-91-7
  
other : 
 
references : 
pubchem :667646
  
synonyms :
2,6-dimethyl bicyclo(6.4.4.06)decan-1-ol
4,8a-dimethyl decalin-4a-ol
 geosmin
 octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
 octahydro-4,8a-dimethyl-4a(2H)-naphthol
 octahydrodimethyl-4alpha-naphthol
soluble in :
 alcohol
insoluble in :
 water
stability :
 air freshener
 bleach
 detergent powder
 dish washing liquid
 fabric conditioner
 foam bath
 hard surface cleaner
 liquid detergent
 shampoo
 soap
(odor and/or flavor) blends with :
 amber oxepin
alpha-ambrinol
 ambroxide
 calarene epoxide
 cetotabac
 corps atc
 patchouli epoxide
 patchouli oil
(odor and/or flavor) used in :
 earth humus
 fern fougere
 moss
 ocean sea
 ocean sea shore
 patchouli
 seaweed
 terralia
natural occurrence in :
fungi
streptomyces sp.



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