grapefruit indene
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IUPAC name :decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
InChI :InChI=1/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2
InChIKey :JDJZAKLOMAHING-UHFFFAOYAI
SMILES :C1CC2C(C1)C3CC2CC34CCCO4
cas number :68480-11-5
(EINECS) number :270-887-9
molar refractivity :55.72 ± 0.4 cm3
parachor :441.2 ± 6.0 cm3
index of refraction :1.541 ± 0.03
surface tension :38.3 ± 5.0 dyne/cm
density :1.08 ± 0.1 g/cm3
polarizability :22.09 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 192.2973000 (IUPAC)
formula :C13 H20 O
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
IFF :Vigoflor
≥95% (sum of isomers)
Odor:  Citrus, Grapefruit, Vetivert
Dry grapefruit note with vetivert characteristics.
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		fresh citrus grapefruit skin rhubarb vetiver floral gardenia
Luebke, William tgsc, (2006)
odor sample from :International Flavors & Fragrances Inc.
substantivity :12 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02900 to 1.03700 @ 25.00 °C.
pounds per gallon - calc. : 8.562 to 8.629
refractive index :1.50300 to 1.50800 @ 20.00 °C.
boiling point : 267.00 to 268.00 °C. @ 760.00 mm Hg
vapor pressure :0.01300 mm/Hg @ 25.00 °C.
flash point : 201.00  °F.  TCC  ( 93.89 °C. )
logP (o/w) : 4.27
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.
Human experience : no sensitization at 2.5%
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for grapefruit indene fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for grapefruit indene 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 :2
 
 
 
 
decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
(EINECS) number :270-887-9
chemidplus :068480115
EPA Substance Registry Services :68480-11-5
references :
 
decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
pubchem :686757
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
 grapefruit indene
 vigoflor
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotions
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 shampoo
 soap
potential blenders :    note
 agrumen nitrileFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
(E)-anetholFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 caramel furanoneFL
 caraway seed oilFL/FR
 cardamom seed oilFL/FR
 cassia bark oilFL/FR
 cinnamyl alcoholFL/FR
 citralFL/FR
 citronella oils 
 citronellyl acetateFL/FR
 citronellyl nitrileFR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 decanalFL/FR
 decanolFL/FR
 diethyl malonateFL/FR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 fennel seed oilFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 grapefruit pentanolFR
 green acetateFR
 gurjun balsam oilFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl isovalerateFL/FR
 ho leaf oilFR
 ionones 
2,4-ivy carbaldehydeFL/FR
 juniper berry oilFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lemon oilFL/FR
 lemongrass oilFL/FR
 lime oilFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba oilFL/FR
 mandarin oilFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
3-mercapto-4-heptanone 
 methyl 2-methyl valerateFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
2-methyl undecanalFL/FR
 mimosa absoluteFL/FR
 muguet octadienolFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 neroli oilFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 octanalFL/FR
 orange oilFL/FR
 orange oil bitterFL/FR
 orangeflower absoluteFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 santallFR
 strawberry furanoneFL/FR
 styralyl acetateFL/FR
 tangerine oilFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 verbena oilFL
 verymossFR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody amyleneFR
 ylang ylang oilFL/FR
potential uses :
 amber
 citrus
 grapefruit
 vetiver
 woody
natural occurrence in :    note
 not found in nature  

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