(S)-dihydroactinidiolide
Notes :
Secretion in tail scent gland of red fox.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
InChI :InChI=1/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m0/s1
InChIKey :IMKHDCBNRDRUEB-NSHDSACABD
SMILES :CC1(CCC[C@]2(C1=CC(=O)O2)C)C
cas number :17092-92-1
coe number :10931
fl. number :13.109
molar refractivity :50.44 ± 0.4 cm3
parachor :413.4 ± 6.0 cm3
index of refraction :1.504 ± 0.03
surface tension :34.7 ± 5.0 dyne/cm
density :1.05 ± 0.1 g/cm3
polarizability :19.99 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 180.2435400
formula :C11 H16 O2
BioActivity Analysis :464871
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :fruity
odor description :
musk coumarin

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 296.00 to 297.00 °C. @ 760.00 mm Hg
logp : 2.60

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 248.00  °F.  TCC  ( 120.00 °C. )
recommendation for (S)-dihydroactinidiolide usage levels up to :
 not for fragrance use.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 1.500001.50000
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

safety links :
 
 
chemidplus :081800411
EPA Substance Registry Services :17092-92-1
NLM Chemical Carcinogenesis Research Information System :17092-92-1
NLM Developmental and Reproductive Toxicity :17092-92-1
NLM Env. Mutagen Info. Center :17092-92-1
NLM GENetic TOXicology :17092-92-1
EPI System :view

other :

references :
fl. number :13.109
pubchem :735425
synonyms :
(S)-dihydroactinidiolide
(S)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
not found in nature



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