amber oxepin
 
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InChI :InChI=1/C18H30O2/c1-15(2)8-5-9-16(3)13(15)7-11-18-12-19-17(4,20-18)10-6-14(16)18/h13-14H,5-12H2,1-4H3
InChIKey :PHNCACYNYORRNS-UHFFFAOYAA
SMILES :CC1(CCCC2(C1CCC34C2CCC(O3)(OC4)C)C)C
(EINECS) number :260-686-4
cas number :57345-19-4
molar refractivity :80.69 ± 0.4 cm3
parachor :654.8 ± 6.0 cm3
index of refraction :1.520 ± 0.03
surface tension :37.2 ± 5.0 dyne/cm
density :1.05 ± 0.1 g/cm3
polarizability :31.98 ± 0.5 10-24cm3
xlogp : 5.90
molecular weight : 278.4296000
formula :C18 H30 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
dry amber woody
properties : 
appearence :colorless to pale yellow clear liquid
assay : 90.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86400 - 0.87400 @ 25.00 °C.
pounds per gallon - calc. : 7.189 to 7.273
refractive index :1.43600 - 1.44600 @ 20.00 °C.
boiling point : 300.00 - 301.00 °C. @ 760.00 mm Hg
logp : 5.90
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 252.00  °F.  TCC  ( 122.22 °C. )
  
recommendation for amber oxepin usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for amber oxepin usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :260-686-4
chemidplus :057345194
epa-srs :57345-19-4
  
other : 
 
references : 
pubchem :670685
  
synonyms :
 amber oxepin
 amberketal
 dodecahydro-3,8,8,11a-tetramethyl-5H-3,5a-epoxynaphth(2,1-c)oxepin
 dodecahydrotetramethyl epoxynaphthoxepin
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl cyclohexyl propionate
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl acetate
para-anisyl alcohol
 benzoin resinoid
 benzyl alcohol
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bois de rose oil
isobornyl acetate
isobutyl cinnamate
 carrot seed oil
 cassia bark oil
 cedryl methyl ether
 chamomile oil
 cinnamyl alcohol
 clary sage oil
 clove bud oil
 coriander seed oil
 costus root oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
 decanol
 deertongue absolute
 dimethyl benzyl carbinol
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 floral pyranol
 frankincense oil
 frankincense resinoid
 galbanum oil
 gardenia oxide
 geranium oil
 green acetate
 guaiacwood oil
 gurjun balsam oil
 heliotropin
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 ionones
2,4-ivy carbaldehyde
 jasmin absolute
 juniperberry oil
 labdanum resinoid
 lavender absolute
 linalool
laevo-linalool
 linalool oxide
 marine pyridine
 mastic resin
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
2-methyl undecanal
 mimosa absolute
 musks
 myrrh oil
 nopyl acetate
 oakmoss absolute
 ocean propanal
 olibanum oil
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 peru balsam oil
 phenethyl alcohol
 phenethyl salicylate
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 pine needle oil
 rhodinol
 rose absolute
 rose oxides
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 undecanol
10-undecen-1-al
10-undecen-1-yl acetate
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 violet methyl carbonate
 woody acetate
 woody amylene
 woody propanol
 ylang ylang oil
(odor and/or flavor) used in :
 abronia
 aldehydic
 amber
 ambergris
 ambreine
 animal
 balsam
 bark
 broom genet genista
 cascarilla
 chamomile
 chypre
 cigar box
 cistus
 dahlia
 daisy
 daphne
 deertongue
 dogwood
 fern fougere
 fir
 fir balsam
 flouve
 flouve blossom
 forest
 forest pine forest
 galanga
 gardenia
 ginger white ginger
 grass sweet grass
 guaiacwood
 habuba
 hay new mown hay foin coupe
 heather
 incense
 labdanum
 lavender
 leaf autumn leaf
 leather
 lovage
 mate
 meadow
 musk
 ocean sea
 olibanum frankincense
 opoponax
 oriental
 patchouli
 pine
 pine needle
 pinon cone
 powder
 saffron
 spikenard
 tobacco tabac tabaco
 tonka
 valerian
 verbena verveine
 violet
 woodruff asperula
natural occurrence in :
not found in nature



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