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dill ether
3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran

Supplier Sponsors

Name:3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
CAS Number: 70786-44-6Picture of molecule3D/inchi
Nikkaji Web:J475.296A
XlogP: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
JECFA Food Flavoring:2133 3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
FLAVIS Number:13.198 (Old)
DG SANTE Food Flavourings:13.198 3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
FEMA Number:4315 3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):70786-44-6 ; 3,6-DIMETHYL-2,3,3A,4,5,7A-HEXAHYDROBENZOFURAN
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96600 to 0.97000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.038 to 8.071
Refractive Index:1.47800 to 1.48100 @ 20.00 °C.
Boiling Point: 207.00 to 208.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.331000 mmHg @ 25.00 °C. (est)
Flash Point: 164.00 °F. TCC ( 73.33 °C. )
logP (o/w): 2.576 (est)
Soluble in:
 alcohol
 water, slightly
 water, 184.4 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:herbal dill
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Benzofuran, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
oral-rat LD50 [sex: F] < 2000 mg/kg
(Vaeth, 2005a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for dill ether usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 24000 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 50.00000250.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 50.00000250.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 25.00000125.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 100.00000500.00000
Meat and meat products, including poultry and game (08.0): 25.00000125.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 500.000005000.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 50.00000250.00000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 50.00000250.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :586292
National Institute of Allergy and Infectious Diseases:Data
3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
Chemidplus:0070786446
 
References:
Leffingwell:Chirality or Article
 3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):586292
Pubchem (sid):135315946
Pherobase:View
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB40766
VCF-Online:VCF Volatile Compounds in Food
ChemSpider: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
 
Potential Blenders and core components note
For Odor
amber
angelica root oil
FL/FR
anisic
estragole
FL/FR
balsamic
cinnamyl formate
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
citrus
ocimene quintoxide
FL/FR
earthy
1-
octen-3-one
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E,Z)-2,6-
dodecadienal
FL/FR
(E)-2-
octenal
FL/FR
floral
cilantro herb oil egypt
FL/FR
beta-
damascenone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
para-
methyl benzyl acetate
FL/FR
iso
phytol
FL/FR
prenyl salicylate
FL/FR
fruity
ethyl 2-ethyl acetoacetate
FL/FR
green
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-sec-
butyl thiazole
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl hexanoate
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
3,6-
nonadien-1-ol
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
terpinyl propionate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
coriander oleoresin
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
hexanol
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
1-
octen-3-yl acetate
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
curled
parsley herb oil
FL/FR
perilla leaf oil
FL/FR
perillaldehyde
FL/FR
rosmarinus officinalis extract
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
thymyl methyl ether
FL/FR
viridiflorol
FL/FR
wormwood oil america
FL/FR
wormwood oil cuba
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
minty
(-)-iso
pulegol
FL/FR
mossy
oakmoss absolute
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
spicy
iso
butyl angelate
FL/FR
cuminaldehyde
FL/FR
ethyl vinyl ketone
FL/FR
sulfurous
fish thiol
FL/FR
terpenic
gamma-
terpinene
FL/FR
waxy
tetradecanal
FL/FR
woody
cinnamyl tiglate
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
2-
acetyl-1-pyrroline
FL
amyl amine
FL
alpha-
amyl cinnamyl formate
FL/FR
(±)-sec-
butyl amine
FL
butyl amine
FL
iso
butyl amine
FL
iso
butyl heptanoate
FL/FR
2-
butyl thiazole
FL
4-
butyl thiazole
FL
2-sec-
butyl thiazole
FL/FR
cinnamyl tiglate
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl amine
FL
fig leaf absolute
FL
hexyl amine
FL
linalyl formate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
2-
methyl butyl amine
FL
6-
methyl-3-hepten-2-one
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
iso
pentylidene isopentyl amine
FL
perilla leaf oil
FL/FR
phenethyl amine
FL
propionyl pyrroline 1% in vegatable oil triglyceride
FL
iso
propyl amine
FL
2-
propyl thiazole
FL
1-
pyrroline
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
(R)-N,N,alpha-
trimethyl benzyl amine
FL
tripropyl amine
FL
ortho-
vinyl anisole
FL
viridiflorol
FL/FR
ammoniacal
ammoniacal
2-
methyl piperidine
FL
pyrrolidine
FL
cooling
theaspirane
FL/FR
earthy
1-
octen-3-one
FL/FR
fatty
(E)-2-
octenal
FL/FR
tetradecanal
FL/FR
fishy
4,5-
dimethyl thiazole
FL
3-
penten-2-one
FL
trimethyl amine
FL
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
fruity
ethyl 2-ethyl acetoacetate
FL/FR
2,4-
hexadien-1-ol
FL
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
para-
methyl benzyl acetate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
green
angelica root oil
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
hexanol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
3,6-
nonadien-1-ol
FL/FR
oakmoss absolute
FL/FR
ocimene quintoxide
FL/FR
1-
octen-3-yl acetate
FL/FR
terpinyl propionate
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
cilantro herb oil egypt
FL/FR
coriander oleoresin
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
curled
parsley herb oil
FL/FR
prenyl salicylate
FL/FR
rosmarinus officinalis extract
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
wormwood oil cuba
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
licorice
estragole
FL/FR
minty
(-)-iso
pulegol
FL/FR
musty
thymyl methyl ether
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
oily
iso
phytol
FL/FR
seafood
1,4-
dithiane
FL
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
cuminaldehyde
FL/FR
ethyl vinyl ketone
FL/FR
perillaldehyde
FL/FR
sulfurous
fish thiol
FL/FR
potato butanone
FL
terpenic
gamma-
terpinene
FL/FR
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
potato butyraldehyde
FL
woody
beta-
damascenone
FL/FR
 
Potential Uses:
FLfish
FLgreen
FLherbal
FLseafood
 
Occurrence (nature, food, other):note
 dill blossom - 884.6 mg/kg
Search Trop Picture
 dill herb - up to 123.8 mg/kg
Search Trop Picture
 
Synonyms:
 benzo[b]furan, 3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-
 benzofuran, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-
3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
3,9-epoxy-p-menthene
p-menth-1-ene, 3,9-epoxy-
 

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:Anethofuran, carvone, and limonene: potential cancer chemopreventive agents from dill weed oil and caraway oil.
PubMed:Distribution and excretion of benadryl (beta-dimethyl-aminoethyl benzhydryl ether).
 
Notes:
None found
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