(3S,3aS,7aR)-dill ether
(3R,4S,8S)-3,9-epoxy-1-p-menthene
 
Notes:
from dill weed oil of plant, anethum graveolens l.. Isol. from the leaf oil of Anethum graveolens (dill) [CCD] This is the natural occuring form of dill ether [FooDB]
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(3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran (Click)
CAS Number: 74410-10-9Picture of molecule
FDA UNII: 2UX44R1B15
Nikkaji Web: J487.723C
XlogP3-AA: 1.90 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Food Chemicals Codex Listed: No
Boiling Point: 207.00 to  208.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.331000 mm/Hg @ 25.00 °C. (est)
Flash Point: 164.00 °F. TCC ( 73.33 °C. )
logP (o/w): 2.815 (est)
Soluble in:
 alcohol
 water, 184.4 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
dill
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
(3S,3aS,7aR)-Dill Ether
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for (3S,3aS,7aR)-dill ether 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 Flavor Ingredient Library
publication number: 23
 average usual ppmaverage maximum ppm
baked goods: 100.00000500.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 25.00000125.00000
chewing gum: --
condiments / relishes: 25.00000125.00000
confectionery froastings: --
egg products: --
fats / oils: 50.00000250.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 50.00000250.00000
hard candy: --
imitation dairy: 50.00000250.00000
instant coffee / tea: --
jams / jellies: --
meat products: 25.00000125.00000
milk products: --
nut products: --
other grains: --
poultry: 25.00000125.00000
processed fruits: --
processed vegetables: 25.00000125.00000
reconstituted vegetables: 25.00000125.00000
seasonings / flavors: 500.000005000.00000
snack foods: 50.00000250.00000
soft candy: --
soups: 25.00000125.00000
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
Cancer Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 126537
National Institute of Allergy and Infectious Diseases: Data
 (3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
Chemidplus: 0074410109
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References:
Leffingwell: chirality
 (3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 126537
Pubchem (sid): 135083528
Flavornet: 74410-10-9
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB40766
FooDB: FDB030007
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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Potential Blenders and core components note
 
For Odor
coconut
 wine lactoneFL/FR
floral
 geranium oil bourbonFL/FR
green
 elemi absoluteFL/FR
herbal
 canarium luzonicum gumFL/FR
spicy
 zvoulimba leaf oilFR
 
For Flavor
 
No flavor group found for these
 wine lactoneFL/FR
floral
 geranium oil bourbonFL/FR
green
 canarium luzonicum gumFL/FR
 elemi absoluteFL/FR
 
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Potential Uses:
 dillFL/FR
 herbalFL
 spiceFL
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Occurrence (nature, food, other): note
 dill leaf
Search Trop  Picture
 dill oil
Search Trop  Picture
 dill seed
Search Trop  Picture
 dill shoot oil
Search Trop  Picture
 dill weed oil cuba @ 14.85%
Data  GC  Search Trop  Picture
 dill weed oil reunion @ 20.80%
Data  GC  Search Trop  Picture
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Synonyms:
 anethofuran
 benzofuran, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-, (3S-(3a,3aa,7aa))-
(3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
(3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran and (3R,4S,8S)-3,9-epoxy-1-para-menthene
(S)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
(3R,4S,8S)-3,9-epoxy-1-p-menthene
(3R,4S,8S)-3,9-epoxy-1-para-menthene
(3R,4S,8S)-3,9-1-para-epoxymenthene
(3S- (3alpha,3aalpha, 7aalpha))- 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl benzofuran
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Articles:
PubMed: Anti-fertility effects of different fractions of Anethum graveolens L. extracts on female rats.
PubMed: Anethum graveolens: An Indian traditional medicinal herb and spice.
PubMed: Fragrant volatile compounds in the liverwort Drepanolejeunea madagascariensis (Steph.) Grolle: approach by the HS-SPME technique.
PubMed: Efficacy of different fractions of Anethum graveolens leaves on serum lipoproteins and serum and liver oxidative status in experimentally induced hypercholesterolaemic rat models.
PubMed: Thin layer chromatography-application in qualitative analysis on presence of coumarins and flavonoids in plant material.
PubMed: Determination of age and gender differences in biochemical processes affecting the disposition of 2-butoxyethanol and its metabolites in mice and rats to improve PBPK modeling.
PubMed: Toxicokinetics of propylene glycol mono-t-butyl ether following intravenous or inhalation exposure in rats and mice.
PubMed: Inhalation toxicology and carcinogenesis studies of propylene glycol mono-t-butyl ether in rats and mice.
PubMed: Evaluation of key aroma compounds in hand-squeezed grapefruit juice (Citrus paradisi Macfayden) by quantitation and flavor reconstitution experiments.
PubMed: Characterization of the most odor-active volatiles in fresh, hand-squeezed juice of grapefruit (Citrus paradisi Macfayden).
PubMed: Distribution and excretion of benadryl (beta-dimethyl-aminoethyl benzhydryl ether).
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