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chrysanthemum oxide

Chemical Structure

General Material Information

Preferred name chrysanthemum oxide
Trivial Name (2-Methoxyethyl)benzene
Short Description methyl phenethyl ether
Formula C9 H12 O
CAS Number 3558-60-9
FEMA Number 3198
Flavis Number 3.006
ECHA Number 222-619-7
FDA UNII 79089Z2R3S
Nikkaji Number J75.050F
Beilstein Number 1857538
COE Number 11812
NMR Predictor External link
JECFA Food Flavoring 1254 methyl phenethyl ether
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3558-60-9 ; METHYL PHENETHYL ETHER
Synonyms
  • benzene, (2-methoxyethyl)-
  • ether, methyl 2-phenylethyl
  • ether, methyl phenethyl
  • kedwa ether
  • kewda ether
  • 1-methoxy-2-phenyl ethane
  • 1-methoxy-2-phenylethane
  • 2-methoxyethyl benzene
  • (2-methoxyethyl) benzene
  • (2-methoxyethyl)benzene
  • 2-methoxyethylbenzene
  • methyl 2-phenethyl ether
  • methyl 2-phenylethyl ether
  • methyl phenethyl ether
  • methyl phenethyl oxide
  • methyl phenyl ethyl ether
  • methyl phenylethyl ether
  • methylphenethylether
  • pandanol (Givaudan)
  • phenethyl methyl ether
  • 2-phenethyl methyl ether
  • phenyl ethyl methyl ether
  • 2-phenyl ethyl methyl ether
  • phenylethyl methyl ether
  • 2-phenylethyl methyl ether
  • 2-methoxyethylbenzene
  • (2-Methoxyethyl)benzene
  • β-Phenylethyl methyl ether
  • 1-Methoxy-2-phenylethane
  • 2-Phenylethyl methyl ether
  • NSC 81229
  • Pandanol

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):HMDB32621
FooDB:FDB010564
Export Tariff Code:2909.30.6000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Specific gravity @ 20 °C
Pounds per Gallon 7.881 to 7.947
Boiling Point 185 to 187°C @ 760 mm Hg
Boiling Point 100 to 104°C @ 25 mm Hg
Vapor Pressure 1.788 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 2.127 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, very slightly Yes
water, 1008 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic fine fragrance Good
antiperspirant Good
fabric softener Good
hypochlorite bleach Good
liquid detergent Good
perborate powder detergent Good
soap Good
toiletry application Good

Organoleptic Properties

Odor Type: Green
green, floral, chrysanthemum, jasmin, metallic, rose
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 88 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 10.00 % in dipropylene glycol. green floral chrysanthemum jasmin metallic rose
Flavor Type: Green
green, chrysanthemum, herbal, floral, nasturtium, earthy, metallic, cilantro
Luebke, William tgsc, (1987) Green chrysanthemum herbal floral nasturtium earthy metallic cilantro

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] (Shelanski & Moldovan, 1971c)

oral-rat LD50 4100 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.

Dermal Toxicity:
skin-rabbit LD50 3970 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.

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 chrysanthemum oxide usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 26.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -20.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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):

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

Scientific Opinion on the safety and efficacy of aromatic ethers including anisole derivatives (chemical group 26) when used as feed additives for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3558-60-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19089
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methoxyethylbenzene
Chemidplus:0003558609
RTECS:KO2230000 for cas# 3558-60-9