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2-phenyl propyl tetrahydrofuran

flavor and fragrance agents
2D:
3D:
CAS Number: 3208-40-0
ECHA EC Number: 221-715-6
FDA UNII: 8ZH8E0RJQA
CoE Number: 489
Category: flavor and fragrance agents
IUPAC Name: 2-phenyl propyl tetrahydrofuran
InChI : InChI=1/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2
Std.InChI: InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2
InChIKey : PBXKRPSGIACPQF-UHFFFAOYAE
Std.InChIKey: PBXKRPSGIACPQF-UHFFFAOYSA-N
SMILES : C1CC(OC1)CCCC2=CC=CC=C2
Molar Refractivity : 58.49 ± 0.3 cm3 (est)
Parachor : 480.8 ± 4.0 cm3 (est)
Index of Refraction : 1.513 ± 0.02 (est)
Surface Tension : 37.3 ± 3.0 dyne/cm (est)
Density : 0.978 ± 0.06 g/cm3 (est)
Polarizability : 23.19 ± 0.5 10-24cm3 (est)

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
JECFA Food Flavoring:1441 2-(3-phenylpropyl)tetrahydrofuran
DG SANTE Food Flavourings:13.007 2-(3-phenylpropyl)tetrahydrofuran
FEMA Number:2898 2-(3-phenylpropyl)tetrahydrofuran
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):3208-40-0 ; 2-(3-PHENYLPROPYL)TETRAHYDROFURAN
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.50 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97500 to 0.98300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.113 to 8.180
Refractive Index:1.51100 to 1.51600 @ 20.00 °C.
Boiling Point: 105.00 to 107.00 °C. @ 1.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 249.00 °F. TCC ( 120.56 °C. )
logP (o/w): 3.506 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
alcohol
water, very slightly
water, 17.23 mg/L @ 25 °C (est)
Insoluble in:
water

Cosmetic Information:

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

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-phenyl propyl tetrahydrofuran usage levels up to:
0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0009 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.70 (μg/capita/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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -2.30000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: 0.030002.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

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

Scientific Opinion on Flavouring Group Evaluation 75, Revision 1 (FGE.75Rev1): Consideration of tetrahydrofuran derivatives 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3208-40-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62490
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(3-phenylpropyl)oxolane
Chemidplus:0003208400

References:

2-(3-phenylpropyl)oxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3208-40-0
Pubchem (cid):62490
Pubchem (sid):135019743

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB36178
FooDB:FDB015032
Export Tariff Code:2932.19.0000
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 :

For Odor
No odor group found for these
ethyl (R)-2-methyl butyrate
FL/FR
satinaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
aldehydic
aldehydic
fresh carbaldehyde
FR
iso
freshal
FR
octanal (aldehyde C-8)
FL/FR
octane nitrile
FR
animal
para-
cresyl isobutyrate
FL/FR
methyl (E)-2-octenoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
fir carboxylate
FR
guaiyl acetate
FL/FR
hexyl benzoate
FL/FR
hexyl cinnamate
FR
berry
mulberry fragrance
FR
brown
sec-
heptyl acetate
FL/FR
chemical
propyl propionate
FL/FR
citrus
backhousia citriodora leaf oil
FR
(R)-
citronellyl nitrile
FR
citrus specialty
FR
(Z)-4-
decenal
FL/FR
2-
ethyl-1-hexanol
FL/FR
2-
heptanol
FL/FR
2-
tetradecenal
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
cyclohexyl formate
FL/FR
1-
hexen-3-ol
FL/FR
methyl ethyl ketone
FL/FR
2-
methyl valeraldehyde
FL/FR
propyl formate
FL/FR
fatty
allyl decanoate
FL/FR
allyl octanoate
FL/FR
butter esters
FL/FR
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
ethyl undecylenate
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
(E)-2-
nonenal
FL/FR
2-
nonenal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
boronia absolute
FL/FR
boronia absolute replacer
FL/FR
boronia fragrance
FR
cassie specialty (acacia farnesiana)
FR
cassis cyclohexene
FR
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl formate
FL/FR
citronellyl propionate
FL/FR
cuminyl acetaldehyde
FL/FR
beta-
damascenone
FL/FR
gamma-
damascone
FR
dihydrocarvyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
6,8-
dimethyl-2-nonanol
FR
(E)-
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
hexyl lactate
FL/FR
hexyl nonanoate
FL/FR
beta-
ionone
FL/FR
jasmin cyclopentanol
FR
jasmin pyranone
FL/FR
jasminum sambac flower oil CO2 extract
FL/FR
(Z)-
jasmone
FL/FR
iso
jasmone
FL/FR
lily propanol
FR
(2-
methoxy-1-methyl propyl) benzene
FR
para-
methyl benzyl acetate
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
nerol
FL/FR
neryl formate
FL/FR
papaya isobutyrate
FL/FR
phenethyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
styralyl propionate
FL/FR
tilia cordata flower oil CO2 extract
FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl 2-ethyl butyrate
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
iso
amyl butyrate
FL/FR
amyl formate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
green
apple fragrance
FR
berry pentadienoate
FL/FR
bisabolene
FL/FR
butyl 2-decenoate
FL/FR
butyl 2-methyl butyrate
FL/FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isovalerate
FL/FR
iso
butyl octanoate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl hexanoate
FL/FR
citronellyl isobutyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
gamma-
dodecalactone
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
(E)-
ethyl tiglate
FL/FR
fig crotonate
FR
fruity butanate
FR
geranyl butyrate
FL/FR
geranyl ethyl ether
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
heptanal cyclic ethylene acetal
FR
2-
heptyl butyrate
FL/FR
heptyl butyrate
FL/FR
heptyl isobutyrate
FL/FR
heptyl valerate
FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
hexyl valerate
FL/FR
kiwi fragrance
FR
kiwi specialty
FR
linalyl hexanoate
FL/FR
malus sylvestris fruit oil CO2 extract
FL/FR
mango fragrance
FR
mango specialty
FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl octadienoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
nerolidyl isobutyrate
FR
neryl propionate
FL/FR
2-
nonanone
FL/FR
(Z)-6-
nonenal dimethyl acetal
FR
octen-1-yl cyclopentanone
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propyl hexanoate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
(E,E)-
sorbyl butyrate
FL/FR
sorbyl butyrate
FL/FR
st. john's wort flower oil
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical specialty
FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
(E)-2-
undecenal
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
actinidia chinensis fruit extract
FL/FR
actinidia chinensis fruit water
FR
actinidia chinensis seed extract
CS
allyl phenethyl ether
FR
iso
amyl formate
FL/FR
butyl heptanoate
FL/FR
cilantro leaf oil
FL/FR
cognac heptanone
FL/FR
green
cognac oil
FL/FR
cucumber fragrance
FR
alpha-
decalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum specialty
FR
green dioxolane
FR
green note propionate
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
herbal cyclohexane
FR
hexanal (aldehyde C-6)
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR

Potential Uses:

Occurrence (nature, food, other):

not found in nature

Synonyms:

furan, tetrahydro-2-(3-phenylpropyl)-
2-hydrocinnamyl tetrahydrofuran
alpha-3-phenyl propyl tetrahydrofuran
2-3(phenyl propyl) tetrahydro furan
2-(3-phenyl propyl) tetrahydrofuran
alpha-(3-phenyl propyl) tetrahydrofuran
1-phenyl-3-(Tetrahydrofuryl-2)propane
2-(3-phenylpropyl)oxolane
2-(3-phenylpropyl)tetrahydrofuran
a-(3-phenylpropyl)tetrahydrofuran
tetrahydro-2-(3-phenyl propyl) furan
tetrahydro-2-(3-phenylpropyl)furan

Articles:

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