dihydroactinidolide
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IUPAC name :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
InChIKey :IMKHDCBNRDRUEB-UHFFFAOYAL
SMILES :CC1(CCCC2(C1=CC(=O)O2)C)C
cas number :15356-74-8
(EINECS) number :239-390-4
fema number :4020
coe number :10931
jecfa number :1164
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 (IUPAC)
formula :C11 H16 O2
BioActivity Analysis :464871
NMR Predictor :Predict
 
 
IUPAC name :(7aR)-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-/m1/s1
InChIKey :IMKHDCBNRDRUEB-LLVKDONJBM
SMILES :CC1(CCC[C@@]2(C1=CC(=O)O2)C)C
cas number :38273-56-2
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 (IUPAC)
formula :C11 H16 O2
NMR Predictor :Predict
 
 
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 (IUPAC)
formula :C11 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Apple :Dihydroactinidiolide
Givaudan :Dihydroactinidiolide
≥95%, NI, Kosher
Odor:  Ripe,Apricot,Red Fruit,Woody
Vigon :Dihydro Actinidiolide
Odor:  RIPE, APRICOT, RED FRUIT, WOODY
organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  		ripe apricot red fruit woody
properties :
appearence :yellow to brown clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.05100 to 1.05800 @ 25.00 °C.
pounds per gallon - calc. : 8.745 to 8.804
refractive index :1.49900 to 1.50500 @ 20.00 °C.
boiling point : 295.00 to 296.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.26
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for dihydroactinidolide 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 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 references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
(EINECS) number :239-390-4
chemidplus :015356748
EPA Substance Registry Services :15356-74-8
dtp/nci :357087
 
 
 (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
chemidplus :38273-56-2
EPA Substance Registry Services :38273-56-2
 
 
 (7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
chemidplus :081800411
EPA Substance Registry Services :17092-92-1
references :
 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
fl. number :13.109
jecfa number :1164
NIST Chemistry WebBook :3071360353
pubchem :169834
 (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
fl. number :13.109
NIST Chemistry WebBook :1506994401
pubchem :10510508
 (7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
fl. number :13.109
pubchem :735425
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 apricot furanone
2-hydroxy-2,6,6-trimethyl cyclohexylidene acetic acid gamma-lactone
5,6,7,7a-tetrahydro-4,4,7a-trimethyl benzofuran-2(4H)-one
5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
soluble in :
 alcohol
insoluble in :
 water
stability :
 stable in most media
(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
 acetyl methyl anthranilate
 allyl benzoate
 allyl cyclohexyl valerate
 allyl propionate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
isoamyl butyrate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl nonanoate
 amyl propionate
 anise indene
para-anisyl propanal
 apricot isobutyrate
 benzyl butyrate
 benzyl heptanoate
 benzyl hexanoate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 bornyl valerate
 boronia absolute
 buchu mercaptan
2-butanol
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
isobutyl decanoate
 butyl decylenate
 butyl hexanoate
isobutyl isovalerate
 butyl nonanoate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
 citronellyl formate
 clove bud oil
 conifer acetate
 coriander oleoresin
ortho-cresyl isobutyrate
 cyclohexyl ethyl acetate
beta-damascenone
alpha-damascone
 davana oil
2-decalinyl acetate
 decen-1-yl cyclopentanone
N,N-diethyl octanamide
 dihydro-alpha-ionone
isodihydrolavandulal
alpha,alpha-dimethyl benzyl isobutyrate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl octanoate
 ethyl ortho-anisate
 ethyl valerate
 filbert hexenone
 fir balsam absolute
 fir carboxylate
 fruity cyclopentanone
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
2-furyl pentyl ketone
 fusel oil
 geranyl butyrate
 geranyl isobutyrate
 geranyl isovalerate
 gooseberry notes
 green acetate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 heptyl acetate
 heptyl isobutyrate
 heptyl propionate
 herbal undecanone
(Z)-3-hexen-1-yl 2-methyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hyacinth ether
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 jasmin lactone
 linalool oxide acetates
 linalyl isovalerate
 linalyl valerate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
 methyl beta-ionol
 methyl cinnamate
 methyl cyclogeranate
 methyl furfuryl disulfide
 methyl heptanoate
N-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl propionate
2-methyl-2-pentenoic acid
2-methyl-3-pentenoic acid
 myrtenyl isobutyrate
 neryl isobutyrate
3-nonen-2-one
(E)-2-octen-1-yl butyrate
3-octen-2-one
(E)-2-octen-4-ol
 octyl propionate
 orris root resinoid
 osmanthus absolute
 peach cyclopentanone
 petitgrain lemon oil
beta-sesquiphellandrene
 phenethyl butyrate
 phenethyl heptanoate
2-phenethyl isothiocyanate
 phenethyl isovalerate
 phenethyl pivalate
1-phenyl propyl butyrate
2-phenyl propyl butyrate
3-phenyl propyl cinnamate
3-phenyl propyl isovalerate
 phenyl propyl valerate
isopropenyl acetate
 propyl acetate
 propyl butyrate
 propyl formate
 propyl heptanoate
isopropyl hexanoate
 propyl isobutyrate
 propyl phenyl acetate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose carboxylate
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl butyrate
 tetrahydrofurfuryl butyrate
 tetrahydroionyl acetate
 thiogeraniol
4-(para-tolyl)-2-butanone
 tropical trithiane
gamma-undecalactone
 vanilla carboxylate
(odor and/or flavor) used in :
 ambergris
 animal
 apricot
 cassie acacia farnesiana
 fruit
 raspberry
 strawberry
 tea green tea
 tobacco tabac tabaco
 tomato
natural occurrence in :
data pagechampaca concrete @ 0.03%
data pagecistus oil @ 0.2%
coffee
data pagemalpighia glabra l. fruit oil @ 0.10%
raspberry
strawberry
tea
data pagethyme oil spain @ 0.11%
tobacco
tomato



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