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para-acetanisole

Chemical Structure

General Material Information

Trivial Name para-acetanisole
Short Description acetanisole
Formula C9 H10 O2
CAS Number 100-06-1
FEMA Number 2005
Flavis Number 7.038
ECHA Number 202-815-9
FDA UNII 0IRH2BR587
Nikkaji Number J5.163B
Beilstein Number 0742313
MDL MFCD00008745
COE Number 570
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 810 acetanisole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 100-06-1 ; ACETANISOLE
Synonyms
  • (4-methoxyphenyl)ethanone
  • 1-(4-methoxyphenyl)ethanon
  • 1-(4-methoxyphenyl)ethanone
  • 1-(4-methoxyphenyl) ethanone
  • 1-(4-methoxyphenyl)-ethanone
  • 1-(4-methoxyphenyl)ethan-1-one
  • 4-acetyl anisole
  • 4-acetylanisole
  • 4-methoxyacetophenone
  • 4-methoxyphenyl methyl ketone
  • 4'-methoxyacetophenone
  • acetanisol
  • acetanisole
  • acetanisole cryst.
  • acetanisole crystals
  • castoreum anisole
  • ethanone, 1-(4-methoxyphenyl)-
  • linarodin
  • methoxyacetophenone
  • methyl 4-methoxyphenyl ketone
  • methyl p-methoxyphenyl ketone
  • methyl para-methoxyphenyl ketone
  • novatone
  • p-acetanisole
  • p-acetyl anisole
  • p-acetylanisole
  • p-methoxyacetophenone
  • p-methoxyphenyl methyl ketone
  • p-methoxyphenylmethyl ketone
  • para-acetyl anisole
  • para-acetylanisole
  • para-methoxy acetophenone
  • para-methoxyacetophenone
  • para-methoxyphenyl methyl ketone
  • para-methoxyphenylmethyl ketone
  • vananote
  • acetanisole (1-(4-methoxyphenyl)ethanone)
  • Acetophenone, 4′-methoxy-
  • 1-(4-Methoxyphenyl)ethanone
  • 4′-Methoxyacetophenone
  • 1-Acetyl-4-methoxybenzene
  • p-Anisyl methyl ketone
  • Acetoanisole
  • p-Methoxy(acetyl)benzene
  • NSC 209523
  • NSC 5601
  • 4-Methoxyhypnone
  • 4-Methoxyphenylethanone

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
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
HMDB (The Human Metabolome Database):HMDB32570
FooDB:FDB010502
Export Tariff Code:2914.50.3000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 150.17709350586
Melting Point 37 to 40°C @ 760 mm Hg
Boiling Point 152 to 154°C @ 26 mm Hg
Vapor Pressure 0.006 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.74
Solubility
alcohol Yes
fixed oils Yes
propylene glycol Yes
water, 2474 mg/L @ 25 °C (est) Yes
water, 2470 mg/L @ C (exp) Yes
glycerin No
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Anisic
sweet, hawthorn, anisic, powdery, balsamic, acacia, vanilla, cherry maraschino cherry
Odor strength medium
Substantivity 251 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (1985) At 100.00 %. sweet hawthorn anisic powdery balsamic acacia
Mosciano, Gerard P&F 17, No. 1, 41, (1992) Sweet, anisic, vanilla-like, with powdery balsamic and benzaldehyde nuances
Flavor Type: Anisic
sweet, anisic, fruity, cherry, powdery, vanilla
Mosciano, Gerard P&F 17, No. 1, 41, (1992) At 10.00 ppm. Sweet, anisic, fruity cherry, with powdery vanilla nuances
Useful in: vanilla, fruity red, sweet others. Hay-, coumarin- and vanilla-like
General comment Sweet anisic fruity cherry powdery vanilla
FEMA Bitter

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 37 - Wear suitable gloves.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H315 - Causes skin irritation
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P330 - Rinse mouth.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 1720 mg/kg
(Moreno, 1973t)

oral-mouse LD50 820 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY BEHAVIORAL: MUSCLE WEAKNESS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(4), Pg. 86, 1985.

oral-rat LD50 1720 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 927, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 927, 1974.

Inhalation Toxicity:
inhalation-human TCLo 1700 ug/m3/39W
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(4), Pg. 86, 1985.

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 para-acetanisole usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 130.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 84.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -5.80000
beverages(nonalcoholic): -2.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -840.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.50000
fruit ices: -2.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.60000
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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):100-06-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7476
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(4-methoxyphenyl)ethanone
Chemidplus:0000100061
RTECS:AM9240000 for cas# 100-06-1