2-hexyl-4-acetoxytetrahydrofuran
4-acetoxy-2-hexyltetrahydrofuran
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 10039-39-1Picture of molecule3D/inchi
FDA UNII: 677FSS3W4M
Nikkaji Web: J1.536.622B
CoE Number: 490
XlogP3-AA: 3.10 (est)
Molecular Weight: 214.30494000
Formula: C12 H22 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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JECFA Food Flavoring: 1440  2-hexyl-4-acetoxytetrahydrofuran
FEMA Number: 2566 2-hexyl-4-acetoxytetrahydrofuran
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):10039-39-1 ; 2-HEXYL-4-ACETOXYTETRAHYDROFURAN
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.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.95200 to 0.96100 @  25.00 °C.
Pounds per Gallon - (est).: 7.922 to  7.996
Refractive Index: 1.46500 to 1.47500 @  20.00 °C.
Boiling Point: 275.00 to  276.00 °C. @ 760.00 mm Hg
Boiling Point: 121.00 to  126.00 °C. @ 1.00 mm Hg
Acid Value: 5.00 max. KOH/g
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 3.093 (est)
Soluble in:
 alcohol
 water, slightly
 water, 58.66 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 
 sweet  floral  fruity  
Odor Description:
at 1.00 % in dipropylene glycol. 
sweet floral fruity
 
 
Flavor Type: fruity
 
 sweet  fruity  peach  apricot  
Taste Description:
sweet fruity peach apricot
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
2-hexyl-4-acetoxytetrahydrofuran
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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 2-hexyl-4-acetoxytetrahydrofuran 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: 3. Update in publication number(s): 25
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 0.300003.00000
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.300003.00000
fruit ices: -3.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.00000
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: 0.300003.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61457
National Institute of Allergy and Infectious Diseases: Data
 (5-hexyloxolan-3-yl) acetate
Chemidplus: 0010039391
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References:
 (5-hexyloxolan-3-yl) acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 61457
Pubchem (sid): 135017172
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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): HMDB37398
FooDB: FDB016442
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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 amyl cinnamateFL/FR
 benzophenoneFR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 propyl cinnamateFL/FR
citrus
2-heptanolFL/FR
creamy
gamma-butyrolactoneFL/FR
 creamy lactoneFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 ionone mixed isomersFL/FR
 jasmin pyranoneFL/FR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus concreteFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
fruity
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 davana oil CO2 extractFL/FR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
3-phenyl propyl hexanoateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
herbal
 tagete oil madagascarFL/FR
medicinal
ortho-cresyl acetateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
 spicy acetoacetateFL/FR
tropical
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
ortho-cresyl acetateFL/FR
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
balsamic
 amyl cinnamateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
creamy
 creamy lactoneFL/FR
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 jasmin pyranoneFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 tropical iononeFL/FR
fruity
 acerola peach flavorFL
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 davana oil CO2 extractFL/FR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
(E)-2-decenoic acidFL
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
 garcinia mangostana fruit extractFL
2-heptanolFL/FR
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
3-phenyl propyl hexanoateFL/FR
2-phenyl-4-pentenalFL
 propyl cinnamateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
isojasmoneFL/FR
honey
 phenethyl isobutyrateFL/FR
milky
gamma-butyrolactoneFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 spicy acetoacetateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 apricotFL
 floralFR
 jasminFL
 peachFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
4-acetoxy-2-hexyltetrahydrofuran
3-furanol, 5-hexyltetrahydro-, acetate
5-hexyl tetrahydro-3-furanol acetate
5-hexyl tetrahydro-3-furanyl acetate
2-hexyl tetrahydrofuran-4-yl acetate
(5-hexyloxolan-3-yl) acetate
5-hexyltetrahydro-3-furanyl acetate
5-hexyltetrahydrofuran-3-yl acetate
2-hexyltetrahydrofuran-4-yl acetate
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