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
cas number :57345-19-4
(EINECS) number :260-686-4
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
XlogP3-AA : 4.70
molecular weight : 278.4296000 (IUPAC)
formula :C18 H30 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Amberketal IPM
(8.5% solution in isopropyl myristate)
Odor:  Ambery, Dry, Woody
Nanjing :5H-3,5a-epoxynaphtho[2,1-c]oxepin,dodecahydro-3,8,8,11a-tetramethyl-
Vigon :Amberketal IPM

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 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86400 to 0.87400 @ 25.00 °C.
pounds per gallon - calc. : 7.189 to 7.273
refractive index :1.43600 to 1.44600 @ 20.00 °C.
boiling point : 300.00 to 301.00 °C. @ 760.00 mm Hg
vapor pressure :0.00110 mm/Hg @ 20.00 °C.
flash point : 252.00  °F.  TCC  ( 122.22 °C. )
logP (o/w) : 5.70
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
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for amber oxepin usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for amber oxepin usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
(EINECS) number :260-686-4
chemidplus :057345194
EPA Substance Registry Services :57345-19-4

references :
pubchem :670685

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 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 :
 acetoxymethyl isolongifolene
 acetyl cedrene
 allyl amyl glycolate
 allyl cyclohexyl propionate
 amber acetate
 amber butanol
 amber carane
 amber carbinol
 amber cyclohexanol
 amber dioxane
 amber formate
 amber furan
 amber naphthofuran
 amber pentadecane
 amber spirolene
 ambrene acetal
 ambrette seed absolute
 ambroxan
 ambroxide
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica seed 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
 boronia butenal
isobutyl cinnamate
 cabreuva oil
alpha-campholenic aldehyde
 carrot seed oil
beta-caryophyllene oxide
 cassia bark oil
 cedarwood absolute atlas
 cedarwood oil atlas
 cedrela wood oil
alpha-cedrene epoxide
 cedrenyl acetate
 cedrol methyl ether
 cedryl acetate
 cedryl formate
 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
beta-damascone
 decanal
 decanol
 deertongue absolute
 dehydro beta-linalool
 dihydro-beta-ionone
 dimethyl benzyl carbinol
 dodecanal
 dodecanol
 elecampane root oil
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 floral pyranol
 formoxymethyl isolongifolene
 frankincense oil
 frankincense resinoid
 galbanum oil
 gardenia oxide
 geranium oil
 green acetate
 guaiacwood oil
 gurjun balsam oil
 heliotropin
 heliotropyl diethyl acetal
 herbal carene
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 hinoki root oil
 ho leaf oil
 hydroxymethyl isolongifolene 50% in dpg
 ionones
2,4-ivy carbaldehyde
 labdanum ethanone
 labdanum oil
 labdanum resinoid
 lavender absolute
 linalool
laevo-linalool
 linalool oxide
isolongifolene epoxide
isolongifolene ketone
 marine pyridine
 mastic resin
 mcp acetate
para-menth-3-en-1-ol
2-methoxy-4-vinyl phenol
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclocitrone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
2-methyl undecanal
 methyl vetivate
 mimosa absolute
 musk methyl ketone
 musks
 myrrh oil
 nopyl acetate
 oakmoss absolute
 ocean propanal
 opoponax absolute
 opoponax resinoid
 orange oil bitter
 orange peel oil bitter china
 orange peel oil bitter italy
 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
beta-pinene
laevo-beta-pinene
 rhodinol
 rose absolute
 rose oxides
 sandalwood oil west australia
 santall
 satinaldehyde
 sclarene
 sclareol
 sclareolide
 styrax oil
 styrax resinoid
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tobacco nonene
 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 cyclohexanone
 woody dioxolane
 woody nonane
 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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