amber furan
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IUPAC name :prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
InChI :InChI=1/C14H24O.C3H4O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4;1-2-3-4/h7,13H,5-6,8-10H2,1-4H3;1,4H,3H2
InChIKey :BKHCAESJENSNLE-UHFFFAOYAJ
SMILES :CCC(=O)CCC1C(=CCCC1(C)C)C.C#CCO
cas number :68611-23-4
(EINECS) number :271-889-2
XlogP : 6.02
molecular weight : 264.4030200 (IUPAC)
formula :C17 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2932.99.8090
fda reg :unspecified

Suppliers :
IFF :Grisalva
≥94% (sum of isomers)
Odor:  Animal, Ambergris, Leather
The character of ambergris captured in a single chemical of remarkable strength. Diffusive and long lasting. Excellent perfomance/cost ratio.
John D. Walsh :Grisalva
Penta :grisalva

organoleptics :
odor type :amber
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
ambergris animal dry amber fresh metallic
Luebke, William tgsc, (1992)
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)

properties :
appearence :yellow clear liquid
assay : 94.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.96100 to 0.96900 @ 25.00 °C.
pounds per gallon - calc. : 7.996 to 8.063
specific gravity :0.96200 to 0.97000 @ 20.00 °C.
pounds per gallon - calc. : 8.014 to 8.081
refractive index :1.49300 to 1.50000 @ 20.00 °C.
boiling point : 273.00 to 274.00 °C. @ 760.00 mm Hg
flash point : 201.00  °F.  TCC  ( 93.89 °C. )
logP (o/w) : 6.58

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for amber furan fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for amber furan flavor 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 :3
 
 
 
 
prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
(EINECS) number :271-889-2
chemidplus :068611234
EPA Substance Registry Services :68611-23-4

references :
 
prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
pubchem :740770

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
FMA :listed
synonyms :
 amber furan
3a-ethyl dodecahydro-6,6,9a-trimethyl naphtho(2,1-b)furan
 ethyl dodecahydrotrimethyl naphthofuran
 grisalva
 naphtho(2,1-b)furan,3a-ethyl dodecahydro-6,6,9a-trimethyl
 prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
 trimethyl-2-cyclohexenyl-3-pentanone-2-propynol
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-pentanone reaction products with 2-propyn-1-ol

soluble in :
 alcohol

insoluble in :
 water

stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap

potential blenders :    note
 acetoxymethyl isolongifoleneFR
 acetyl cedreneFR
 aldehydic nitrileFR
 amber acetateFR
 amber butanolFR
 amber caraneFR
 amber carbinolFR
 amber cyclohexanolFR
 amber decaneFR
 amber decatrieneFR
 amber dioxaneFR
 amber dodecaneFR
 amber formateFR
 amber naphthofuranFL/FR
 amber oxepinFR
 amber pentadecaneFR
 amber spiroleneFR
 ambergris naphtholFL/FR
 ambreineFR
 ambrene acetalFR
 ambrette seed oilFL/FR
delta6-isoambrettolideFL/FR
 ambrinolFR
alpha-ambrinolFL/FR
 ambrophoreFR
 ambroxanFL/FR
 ambroxideFL/FR
 amyl benzoateFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris acetateFR
 amyris wood oilFL/FR
(3alpha,5alpha)-androst-16-en-3-olFR
 angelica root oilFL/FR
 angelica seed oilFL/FR
 animal carbolactoneFR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 bois de rose oilFL/FR
 boronia butenalFR
 butyl benzoateFL/FR
isobutyl phenyl acetateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
alpha-campholenic aldehydeFL/FR
 caramel furanoneFL
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cassis pentanoneFL/FR
 castoreum absoluteFL/FR
 cedar cyclododecatrieneFR
 cedarwood oils 
alpha-cedrene epoxideFR
 cedrol methyl etherFR
 cedryl formateFR
 cedryl methyl etherFR
 chrysanthemum oxideFL/FR
 cistus absoluteFL/FR
 cistus oilFL/FR
 citronellyl nitrileFR
 civet absoluteFL/FR
 civet decenoneFL/FR
 cognac heptanoneFL/FR
 cortex pyridineFL/FR
 costus valerolactoneFR
para-cresyl acetateFL/FR
para-cresyl caprylateFL/FR
para-cresyl isobutyrateFL/FR
para-cresyl isovalerateFL/FR
para-cresyl phenyl acetateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl crotonateCS
 cypress absoluteFR
gamma-decalactoneFL/FR
 decanolFL/FR
 dihydro-beta-ionolFL/FR
 dihydro-beta-iononeFL/FR
 dihydrojasmoneFL/FR
 dihydrorose oxideFR
2,6-dimethoxy-4-vinyl phenolFL
 diphenyl oxideFL/FR
delta-dodecalactoneFL/FR
gamma-dodecalactoneFL/FR
 dodecanalFL/FR
 dodecane nitrileFR
 dodecanolFL/FR
 elecampane root oilFL
 epoxy-2-decenalFL
 ethyl 3-hexenoateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethylene dodecanoateFR
isoeugenyl acetateFL/FR
 floral pyranFR
 floral pyranolFR
 formoxymethyl isolongifoleneFR
 frankincense oilFL/FR
 frankincense resinFL/FR
 fresh carbaldehydeFR
 furfuryl octanoateFL
 galbanum oilFL/FR
 geranyl benzoateFL/FR
 geranyl nitrileCS
homogeranyl nitrileFR
 green dioxolaneFR
 green etherFL/FR
 guaiacwood oilFL/FR
 guaiyl butyrateFR
 gurjun balsam oilFR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
1-hepten-3-olFL/FR
 heptyl benzoate 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
4-hexen-3-oneFL
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxymethyl isolongifolene 50% in dpgFR
 immortelle absoluteFL/FR
 indolallFR
 indoleFL/FR
 indoletalFR
 juniper lactoneFL/FR
delta-juniper lactoneFL/FR
 labdanum absolute resinFL/FR
 labdanum absolute resinoidFL/FR
 labdanum leaf oilFR
 labdanum oilFL/FR
 labdanum resinoidFR
 leather cyclohexanolFR
 lilyallFR
laevo-linaloolFL/FR
 linalyl cinnamateFL/FR
 linalyl hexanoateFL/FR
isolongifolene ketoneFR
 maltolFL/FR
 marine pyridineFR
 mastic resinFR
 mcp acetate 
 melon heptenalFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
4-methyl cyclohexanoneFL
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
para-methyl tetrahydroquinolineFL/FR
2-methyl undecanalFL/FR
2-methyl undecanal dimethyl acetalFR
 muguet nitrileFR
delta-muscenoneFR
 muscogeneFR
dextro,laevo-musconeFL/FR
normusconeFR
 musk amberolFR
(E)-12-musk decenoneFR
 musk dimethyl indaneFL/FR
 musk lactoneFR
 musk methyl ketoneFR
 musk nonaneFR
 musk pentaneFR
 musks 
 myrrh oilFL/FR
 nerolidolFL/FR
 neryl acetoneFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
gamma-nonalactoneFL/FR
 nonanolFL/FR
(Z)-6-nonen-1-alFL/FR
 ocean propanalFL/FR
 ocimene oxiraneFR
gamma-octalactoneFL/FR
 opoponax absoluteFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 passiflora acetateFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
omega-pentadecalactoneFL/FR
4-penten-1-yl acetateFL
2-pentyl furanFL/FR
 petitgrain heptaneFR
 phenethyl butyl etherFR
 phenethyl isopropyl etherFR
 phenethyl phenyl acetateFL/FR
 propyl cinnamateFL/FR
isopropyl cinnamateFL/FR
4-isopropyl quinolineFL/FR
isopropyl quinolineFR
 propyl valerateFL/FR
 propylene glycol dibenzoateCS
 raspberry ketoneFL/FR
laevo-rose oxideFL/FR
 safranalFL/FR
 santallFR
 satinaldehydeFL/FR
 sclarene 
 sclareolFL/FR
 sclareolideFL/FR
 skatoleFL/FR
 spikenard oilFL/FR
1-oxaspiro-4,7-dodecaneFR
 spruce oilFL/FR
 styrax oilFL/FR
 styrax resinoidFL
 tetradecanalFL/FR
 theaspiraneFL/FR
 timber propanolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
 tonka bean absoluteFR
 tricyclodecenyl isobutyrateFR
2,5,9-trimethyl-4,9-decadien-1-alFR
 tuberolideFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 watermelon ketoneFR
 woody acetateFR
 woody cyclohexanoneFR
 woody dioxolaneFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 woody nonaneFR
 woody propanolFR

potential uses :
 amber
 ambergris
 animal
 diffusion
 dry
 earth humus
 herbal
 leather
 musk
 oriental
 woody

natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.



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