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nerol oxide

Chemical Structure

General Material Information

Preferred name nerol oxide
Trivial Name (±)-Nerol oxide
Short Description 3,6-dihydro-4-methyl-2-(2-methylprop-1-en-1-yl)-2H-pyran
Formula C10 H16 O
CAS Number 1786-08-9
Deleted CAS Number 76985-28-9
FEMA Number 3661
Flavis Number 13.088
ECHA Number 217-241-4
FDA UNII NSW8112Y7S
Nikkaji Number J38.675H
Beilstein Number 1562957
xLogP3-AA 2.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1235 nerol oxide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1786-08-9 ; 3,6-DIHYDRO-4-METHYL-2(2-METHYLPROPEN-1-YL)-2H-PYRAN
Synonyms
  • 3,6-dihydro-4-methyl-2-(2-methyl propen-1-yl)-2H-pyran
  • 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
  • 3,6-dihydro-4-methyl-2-(2-methylprop-1-en-1-yl)-2H-pyran
  • 3,6-dihydro-4-methyl-2-(2-methylpropen-1-yl)-2H-pyran
  • 3,6-dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
  • 3,6-dihydro-4-methyl-2,2-methyl propen-1-yl-2H-pyran
  • 4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran
  • 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
  • neroloxide
  • neroloxyde
  • 2H- pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
  • 2H- pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-
  • 2H- pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propeyl)-
  • 2H- pyran, 3,6-dihydro-4-methyl-2-(2-methylpropenyl)-
  • 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
  • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
  • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-
  • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methylpropenyl)-
  • 3,6-Dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-pyran
  • (±)-Nerol oxide
  • 3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
  • Isoneroloxide

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):Search
FooDB:FDB020082
Export Tariff Code:2909.20.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.23672485352
Boiling Point 201 to 202°C @ 760 mm Hg
Vapor Pressure 0.409 mmHg @ 25 °C
Flash Point TCC Value 70.56 °C TCC
logP (o/w) 2.984 est
Solubility
alcohol Yes
water, 77.23 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, weedy, cortex, herbal, narcissus, celery, vegetable, floral, minty
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 100.00 %. green weedy cortex herbal diphenyl oxide narcissus celery
Mosciano, Gerard P&F 20, No. 2, 37, (1995) Green, vegetative and floral with a minty undernote
Flavor Type: Green
green, vegetable, floral, leafy, waxy, herbal, minty
Mosciano, Gerard P&F 20, No. 2, 37, (1995) At 5.00 ppm. Green, vegetative, floral, leafy and waxy with an herbal, minty depth
Used at low levels in citrus, tropical and peppermint flavors for a unique cooling note. Green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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 ~ 5000 mg/kg
(Moreno, 1980l)

oral-rat LD50 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 97S, 1992.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 97S, 1992.

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 nerol oxide usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.85 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.70 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): -0.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: -0.20000
imitation dairy: --
instant coffee / tea: -0.10000
jams / jellies: -0.10000
meat products: --
milk products: -0.10000
nut products: --
other grains: --
poultry: --
processed fruits: -0.10000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.20000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000
View page or View pdf

Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1786-08-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61275
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
Chemidplus:0001786089