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benzyl isoeugenol

Chemical Structure

General Material Information

Preferred name benzyl isoeugenol
Trivial Name Benzyl isoeugenol
Short Description isoeugenyl benzyl ether
Formula C17 H18 O2
CAS Number 120-11-6
FEMA Number 3698
Flavis Number 4.018
ECHA Number 204-370-6
FDA UNII Search
MDL MFCD00026985
COE Number 522
NMR Predictor External link
JECFA Food Flavoring 1268 isoeugenyl benzyl ether
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 120-11-6 ; ISOEUGENYL BENZYL ETHER
Synonyms
  • benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-
  • benzil iso eugenol
  • benzyl 2-methoxy-4-(1-propenyl)phenyl ether
  • benzyl 2-methoxy-4-prop-1-enylphenyl ether
  • benzyl 2-methoxy-4-propenyl phenyl ether
  • benzyl alcohol ether with isoeugenol
  • benzyl iso eugenol
  • benzyl isoeugenol ether
  • benzyl isoeugenyl ether
  • 1-benzyl oxy-2-methoxy-4-propenyl benzene
  • 1-benzyloxy-2-methoxy-4-(1-propenyl)benzene
  • 1-benzyloxy-2-methoxy-4-propenyl benzene
  • 1-benzyloxy-2-methoxy-4-propenylbenzene
  • 1-( benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
  • iso eugenol benzyl ether
  • iso eugenyl benzyl ether
  • 2-methoxy-1-(phenyl methoxy)-4-(1-propenyl) benzene
  • 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)benzene
  • 2-methoxy-1-(phenylmethoxy)-4-prop-1-enylbenzene
  • methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
  • 2-methoxy-4-propenyl phenyl benzyl ether
  • 1-alpha- phenyl-4-propenyl veratrole
  • 4-propenyl-1-benzyl oxy-2-methoxybenzene
  • 2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
  • Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl-
  • Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-
  • 2-Methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)benzene
  • Benzyl 2-methoxy-4-propenylphenyl ether
  • Isoeugenol, benzyl ether
  • NSC 46157
  • Isoeugenyl benzyl ether

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):HMDB32349
FooDB:FDB009645
Export Tariff Code:2909.30.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 254.32885742188
Melting Point 59 to 63°C @ 760 mm Hg
Acid Value 1 max KOH/g
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.344 est
Solubility
alcohol Yes
paraffin oil Yes
water, 2.344 mg/L @ 25 °C (est) Yes
water No
Stability
non-discoloring Unspecified

Organoleptic Properties

Odor Type: Spicy
spicy, balsamic, carnation, magnolia, powdery
Odor strength low
Substantivity 232 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1982) At 100.00 %. mild spicy balsam carnation
Flavor Type: Spicy
sweet, powdery, spicy, carnation, floral, balsamic, woody burnt wood
Luebke, William tgsc, (1982) Sweet powdery spicy carnation floral balsamic burnt wood
General comment Aromatic, balsamic, slightly spicy

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Skin sensitisation (Category 1), H317
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
Chronic aquatic toxicity (Category 1), H410
GHS Label elements, including precautionary statements
Pictogramcorrosion.jpgexclamation-mark.jpgenvironment.jpg
Signal word Danger
Hazard statement(s)
H315 - Causes skin irritation
H317 - May cause an allergic skin reaction
H318 - Causes serious eye damage
H335 - May cause respiratory irritation
H410 - Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P272 - Contaminated work clothing should not be allowed out of the workplace.
P273 - Avoid release to the environment.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P310 - Immediately call a POISON CENTER or doctor/physician.
P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P391 - Collect spillage. Hazardous to the aquatic environment
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
5 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 4900 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 1025, 1973.

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 benzyl isoeugenol usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.085 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -13.00000
beverages(nonalcoholic): -8.66000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: --
gelatins / puddings: -5.66000
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: -5.00000
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):

Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):120-11-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61046
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
Chemidplus:0000120116
RTECS:CY8225000 for cas# 120-11-6