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sassafras acetate

Chemical Structure

General Material Information

Preferred name sassafras acetate
Trivial Name 1-(Cyclopropylmethyl)-4-methoxybenzene
Short Description toscanol (Givaudan)
Formula C11 H14 O
CAS Number 16510-27-3
FEMA Number 4759
FDA UNII B5O4EJ2WVY
NMR Predictor External link
JECFA Food Flavoring 2190 1-cyclopropanemethyl-4-methoxybenzene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • anisole, p-(cyclopropylmethyl)-
  • benzene, 1-(cyclopropylmethyl)-4-methoxy-
  • 1-cyclopropanemethyl-4-methoxybenzene
  • 1-cyclopropyl methyl-4-methoxybenzene
  • 1-( cyclopropyl methyl)-4-methoxybenzene
  • 1-cyclopropylmethyl-4-methoxybenzene
  • 1-( cyclopropylmethyl)-4-(methyloxy)benzene
  • 1-( cyclopropylmethyl)-4-methoxybenzene
  • 4-( cyclopropylmethyl)phenyl methyl ether
  • toscanol (Givaudan)
  • 1-(Cyclopropylmethyl)-4-methoxybenzene
  • Toscanol
  • (4-Methoxybenzyl)cyclopropane

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

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Literature & References

1-(cyclopropylmethyl)-4-methoxybenzene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6422476
Pubchem (sid):135306551
Publications by Info
Toscanol
Publications by US Patents
7,704,942 - Fragrance and flavour compositions

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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 162.23178100586
Specific gravity @ 25 °C
Pounds per Gallon 8.205 to 8.238
Refractive Index 1.522 to 1.526 @ 20 °C
Boiling Point 240 to 241°C @ 760 mm Hg
Vapor Pressure 0.059 mmHg @ 25 °C
Vapor Density 5.6
Flash Point TCC Value 112.78 °C TCC
logP (o/w) 3.492 est
Solubility
alcohol Yes
water No

Organoleptic Properties

Odor Type: Anisic
sweet, anisic, tarragon, anise, spicy, sassafrass, licorice black licorice, root beer, herbal
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 36 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (2017) At 10.00 % in dipropylene glycol. sweet anisic tarragon anise spicy sassafrass black licorice root beer herbal
Flavor Type: Tarragon
sweet, spicy, root beer, licorice black licorice, sassafrass, tarragon, anise, herbal
Luebke, William tgsc, (2017) Sweet spicy root beer black licorice sassafrass tarragon anise herbal

Potential Uses

Applications
Odor purposes Anise, Caraway seed, Myrtle oil replacer, Opoponax, Saffron, Sassafras, Spice
Flavoring purposes Caraway seed

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 5), H303
Acute toxicity, dermal (Category 5), H313
Skin corrosion/irritation (Category 3), H316
Skin sensitisation (Category 1), H317
Acute aquatic toxicity (Category 2), H401
Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Danger
Hazard statement(s)
H303 - May be harmfulif swallowed
H313 - May be harmful in contact with skin
H316 - Causes mild skin irritation
H317 - May cause an allergic skin reaction
H401 - Toxic to aquatic life
H411 - 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.
P272 - Contaminated work clothing should not be allowed out of the workplace.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
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
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

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 sassafras acetate usage levels up to:
5.0000 % in the fragrance concentrate.
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: 26
Click here to view publication 26
average usual ppmaverage maximum ppm
baked goods: 1.200006.00000
beverages(nonalcoholic): 0.400002.00000
beverages(alcoholic): 4.0000020.00000
breakfast cereal: 1.200008.00000
cheese: --
chewing gum: 4.00000100.00000
condiments / relishes: --
confectionery froastings: 1.8000010.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.200008.00000
fruit ices: 1.200008.00000
gelatins / puddings: 1.8000010.00000
granulated sugar: --
gravies: --
hard candy: 1.200008.00000
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: 1.200008.00000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):16510-27-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6422476
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(cyclopropylmethyl)-4-methoxybenzene
Chemidplus:0016510273