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dehydroxylinalool oxide

Chemical Structure

General Material Information

Preferred name dehydroxylinalool oxide
Trivial Name Herboxide
Short Description 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran
Formula C10 H16 O
CAS Number 13679-86-2
FEMA Number 3759
Flavis Number 13.097
ECHA Number 237-184-9
FDA UNII F2S8JZM40P
Nikkaji Number J277.988I
MDL MFCD00065422
COE Number 11944
xLogP3-AA 2.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1455 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13679-86-2 ; 5-ISOPROPENYL-2-METHYL-2-VINYLTETRAHYDROFURAN
Synonyms
  • anhydrolinalool oxide
  • anhydrolinalool oxide (5)
  • dehydroxy linalool oxide
  • desoxide
  • 2-ethenyl tetrahydro-2-methyl-5-(1-methyl ethenyl) furan
  • 2-ethenyl-2-methyl-5-(1-methyl ethenyl) tetrahydrofuran
  • 2-ethenyl-2-methyl-5-(1-methylethenyl)tetrahydrofuran
  • 2-ethenyl-2-methyl-5-(prop-1-en-2-yl)tetrahydrofuran
  • 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
  • 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)furan
  • furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-
  • furan, tetrahydro-5-isopropenyl-2-methyl-2-vinyl-
  • herboxide
  • 2-methyl-2-vinyl-5-isopropenyl tetrahydrofuran
  • 2-methyl-2-vinyl-5-isopropenyltetrahydrofuran
  • 2-methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran
  • 5-iso prenyl-2-methyl-2-vinyl tetrahydrofurane
  • 5-iso prenyl-2-methyl-2-vinyltetrahydrofurane
  • 5-iso propenyl-2-methyl-2-vinyl tetrahydrofuran
  • 5-iso propenyl-2-methyl-2-vinyltetrahydrofuran
  • 2-iso propenyl-5-methyl-5-vinyltetrahydrofuran
  • tetrahydro-5-isopropenyl-2-methyl-2-vinyl furan
  • tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran
  • 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
  • 2-Ethenyltetrahydro-2-methyl-5-(1-methylethenyl)furan
  • 2-Methyl-2-vinyl-5-isopropenyltetrahydrofuran
  • 2-Isopropenyl-5-methyl-5-vinyl-tetrahydrofuran
  • Lime oxide T
  • 5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
  • 2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran
  • 2-Ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB37172
FooDB:FDB016168
Export Tariff Code:2932.19.5000
Typical G.C.
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.23672485352
Specific gravity @ 25 °C
Pounds per Gallon 7.273 to 7.306
Refractive Index 1.449 to 1.454 @ 20 °C
Boiling Point 167 to 168°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 13.4 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 46.11 °C TCC
logP (o/w) 2.929 est
Solubility
alcohol Yes
water, 78.78 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
green, minty, spicy, herbal, rosemary, phenolic, cooling, terpenic
Odor strength medium
Substantivity > 4 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. green minty spice herbal rosemary phenolic
Mosciano, Gerard P&F 15, No. 6, 35, (1990) Green, cooling spice, herbaceous, with a terpy and minty nuance
Flavor Type: Woody
woody, pine, spicy, minty, green, citrus
Mosciano, Gerard P&F 15, No. 6, 35, (1990) Woody, piney, spicy, minty with a green citrus nuance
Lemon/lime type flavor and can also add citrus notes to a variety of flavors including peach and mango. Lemon/lime character similar to lemon/lime carbonated soft drink, with green bean aftertaste

Occurrences

Potential Uses

Applications
Odor purposes Aldehydic, Berry, Berry, Blueberry, Citrus, Eucalyptus oil replacer, Grape, Green, Herbal, Lime, Mango, Mint, Pepper, Pine, Spice, Woody
Flavoring purposes Tea, Tropical
Other purposes Topnotes
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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-mouse LD50 1000 - 2000 mg/kg
(Bonetti, 1983)

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 dehydroxylinalool oxide usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.03 (μg/capita/day)
Structure Class: II
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: 15
Click here to view publication 15
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.02000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.09000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.12000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: -0.12000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.12000
meat products: --
milk products: -0.10000
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

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
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):13679-86-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61665
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:1
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
Chemidplus:0013679862