longifolene
 
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IUPAC name :(1S,3aR,4S,8aS)-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
InChI :InChI=1/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11u,12-,13u,15-/m0/s1
InChIKey :PDSNLYSELAIEBU-GWIFJHRUBW
SMILES :CC1(CCC[C@]2([C@@H]3C1C(C2=C)CC3)C)C
(EINECS) number :207-491-2
cas number :475-20-7
fl. number :01.047
molar refractivity :64.85 ± 0.4 cm3
parachor :514.2 ± 6.0 cm3
index of refraction :1.508 ± 0.03
surface tension :31.2 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :25.71 ± 0.5 10-24cm3
xlogp : 4.80
molecular weight : 204.3510600
formula :C15 H24
BioActivity Analysis :431749
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :woody
odor strength :medium
odor description :
at 100.00 %.  
sweet woody rose medical fir needle
substantivity :24  Hour(s)
properties : 
appearence :colorless to yellow clear oily liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93000 - 1.11000 @ 25.00 °C.
pounds per gallon - calc. : 7.739 to 9.236
refractive index :1.42000 - 1.60000 @ 20.00 °C.
refractive index :1.49500 @ 30.00 °C.
optical rotation :+14.00 to +54.00
melting point : 156.20 °C. @ 0.00 mm Hg
boiling point : 150.00 - 151.00 °C. @ 36.00 mm Hg
boiling point : 254.00 - 255.00 °C. @ 706.00 mm Hg
logp : 6.39
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for longifolene usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for longifolene usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :207-491-2
rtecs :PB7724500 for 475-20-7
chemidplus :000475207
epa-srs :475-20-7
  
other : 
 
references : 
pubchem :153376
  
synonyms :
(1S-(1alpha,3abeta,4alpha,8abeta))-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
(1S,3aR,4S,8aS)-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
 junipene
 kuromatsuene
 longifolene
(+)-longifolene
(1R,2S,7S,9S)-3,3,7-trimethyl-8-methylene tricyclo(5.4.0.02.9)undecane
soluble in :
 alcohol
insoluble in :
 water
 propylene glycol
(odor and/or flavor) blends with :
 acetophenone
 allyl ionone
 amber carbinol
 amber oxepin
 ambrette seed oil
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 armoise oil
 bay leaf oil
 benzoin resinoid
 benzophenone
 benzyl benzoate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl benzoate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarleaf oil
 cedarwood oils
 cedrenes
 cedryl methyl ether
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 coconut absolute
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cypress oil
 decanol
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense resinoid
 fruity cyclopentanone
 galbanum oxathiane
 gardenia decalone
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 ionones
 irones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 mastic resin
 methyl acetophenone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
2-methyl undecanal
 methyl undecylenate
 muguet carboxaldehyde
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerolidol
gamma-nonalactone
 nopyl acetate
 ocean propanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
isopropyl ionone
 raspberry ketone
 rhodinol
 rose butanoate
 sage oil
 santall
 spruce oil
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 amber
 animal
 balsam
 cedar
 cedarleaf
 cloth clean cloths
 diffusion
 fir needle
 herbal
 incense
 leather
 moss
 musk
 oriental
 patchouli
 rain
 sandalwood
 vetiver
 woody
natural occurrence in :
data pagecarrot seed oil @ 1.24%
data pagecedarwood oil lebanon @ 0.50%
chamaecyparis obtusa
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.10%
data pagehinoki leaf oil @ 0.72%
data pagehinoki root oil @ 0.64%
data pagehinoki wood oil @ 0.61%
data pagelemon verbena oil morocco @ 0.2%
data pagepine needle oil scotch siberia @ 0.3-0.9%
pinus longifolia p. khasya
data pagepinus sylvestris l. needle oil estonia @ 0.10%
data pagepinus sylvestris l. needle oil yugoslavia @ 0.10%



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