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
formula :C13 H20 O
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
IFF :Vigoflor
≥95% (sum of isomers)
Odor:  Dry grapefruit note with vetivert characteristics.

organoleptics :
odor type :citrus
odor strength :medium
odor description :¹
at 100.00 %.  
fresh citrus grapefruit skin rhubarb vetiver floral gardenia
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 :
 
recommendation for grapefruit indene usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for grapefruit indene 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 :
reference : Luebke, William tgsc, (2006)¹
CosIng :cosmetic data
synonyms :
 decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
 vigoflor

soluble in :
 alcohol

insoluble in :
 water

stability :
 alcoholic lotions
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 shampoo
 soap

(odor and/or flavor) blends with :
 agrumen nitrile
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
(E)-anethol
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
 caramel furanone
 caraway seed oil
 cardamom seed oil
 cassia bark oil
 cinnamyl alcohol
 citral
 citronella oils
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanal
 decanol
 diethyl malonate
 dihydromyrcenol
 dimethyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl phenyl acetate
 ethyl vanillin
 fennel seed oil
 fir needle oil
 floral pyranol
 galbanum oil
 geraniol
 geranium oil
 geranyl acetate
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 gurjun balsam oil
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 ho leaf oil
 ionones
2,4-ivy carbaldehyde
 juniper berry oil
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 mandarin oil
 melon heptenal
 melon nonenoate
3-mercapto-4-heptanone
 methyl 2-methyl valerate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptenone
2-methyl undecanal
 mimosa absolute
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 nerol
 neroli oil
 neryl acetate
 nonanal
 nonanol
 ocean propanal
 octanal
 orange oil
 orange oil bitter
 orangeflower absolute
 orris pyridine
 patchouli ethanone
 petitgrain oil
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 santall
 strawberry furanone
 styralyl acetate
 tangerine oil
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillin
 vanillyl acetate
 verbena oil
 verymoss
 violet methyl carbonate
 watermelon ketone
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 amber
 citrus
 grapefruit
 vetiver
 woody

natural occurrence in :
not found in nature



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