ortho-acetanisole

General Material Information

Preferred name	ortho-acetanisole
Trivial Name	2′-Methoxyacetophenone
Short Description	2-methoxyacetophenone
Formula	C9 H10 O2
CAS Number	579-74-8
FEMA Number	4163
Flavis Number	7.254
ECHA Number	209-446-2
FDA UNII	0WYN389I4N
Nikkaji Number	J150.134H
Beilstein Number	1100602
MDL	MFCD00008725
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	2042 2-methoxyacetophenone
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	579-74-8 ; 2-METHOXYACETOPHENONE
Synonyms	o- acetanisole acetophenone, 2'-methoxy- 2-acetyl anisole o- acetyl anisole ortho- acetyl anisole 1-acetyl-2-methoxybenzene 2-acetylanisole o- acetylanisole ethanone, 1-(2-methoxyphenyl)- 2-methoxy-acetophenon 1-(2-methoxy-phenyl)-ethanone 2-methoxyacetophenone 2'- methoxyacetophenone o- methoxyacetophenone ortho- methoxyacetophenone 2-methoxyphenyl methyl ketone 1-(2-methoxyphenyl) ethan-1-one 1-(2-methoxyphenyl)ethan-1-one 1-(2-methoxyphenyl)ethanone methyl 2-methoxyphenyl ketone methyl o-methoxyphenyl ketone methyl ortho-methoxyphenyl ketone 1-(2-methoxyphenyl)ethanone Acetophenone, 2′-methoxy- Acetophenone, o-methoxy- o-Methoxyacetophenone 2′-Methoxyacetophenone o-Acetylanisole 2-Methoxyphenyl methyl ketone 2-Acetylanisole NSC 23387 NSC 26912 2-Methoxy-1-acetylbenzene 1-(2-Methoxyphenyl)ethan-1-one

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

Google Scholar	Start search
Google Books	Start search
Google Patents	Start search
Perfumer & Flavorists	Start search
EU Patents	Start search
PubMeb	Start search
NCBI	Start search

Literature & References

	1-(2-methoxyphenyl)ethanone
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	579-74-8
Pubchem (cid):	68481
Pubchem (sid):	135026464
Pherobase:	View

Publications by PubMed
Constituents of Knema laurina and Knema tenuinervia ssp. setosa.
A new phenolic glycoside from the aerial parts of Dryopteris fragrans.
Acetophenone derivatives and sesquiterpene from Euphorbia ebracteolata.
[Study on the chemical constituents from fresh roots of Euphorbia fischeriana].
[Studies on the chemical constituents from the aerial parts of Breynia fruticosa].

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):	HMDB32569
FooDB:	FDB010501
Export Tariff Code:	2914.50.2000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	2-Methoxyacetophenone

Suppliers

BOC Sciences	EMD Millipore
Jalor-Chem	Parchem
Penta International	Santa Cruz Biotechnology
Sigma-Aldrich: Aldrich	TCI AMERICA
Penta International Corporation

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	150.17709350586
Specific gravity	@ 25 °C
Pounds per Gallon	9.062 to 9.087
Specific gravity	@ 20 °C
Pounds per Gallon	9.064 to 9.097
Refractive Index	1.537 to 1.542 @ 20 °C
Boiling Point	245 to 248°C @ 760 mm Hg
Vapor Pressure	0.029 mmHg @ 25 °C
Flash Point TCC Value	108.89 °C TCC
logP (o/w)	1.82
Solubility
alcohol	Yes
propylene glycol	Yes
water, 2114 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Anisic
powdery, anisic, almond, phenolic
Odor strength	medium , recommend smelling in a 1.00 % solution or less
Substantivity	6 hour(s) at 100.00 %
Luebke, William tgsc, (2006)	At 1.00 % in propylene glycol. powdery anisic almond phenolic
Flavor Type: Powdery
powdery, musty, anisic, almond, cherry maraschino cherry
Luebke, William tgsc, (2006)	At 30.00 ppm in water. powdery musty anisic almond

Occurrences

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Almond, Amber, Ambrette oil replacer, Azalea, Baby powder, Balsam, Hawthorn, Hay new mown hay, Hugonia, Mimosa, Peru balsam, Powder, Rose white rose, Spice

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20 - When using do not eat or drink. S 37/39 - Wear suitable gloves and eye/face protection. 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)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
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 ortho-acetanisole usage levels up to:
	1.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		2100 (μg/person/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: 22
Click here to view publication 22
		average usual ppm	average maximum ppm
baked goods:		10.00000	50.00000
beverages(nonalcoholic):		1.00000	10.00000
beverages(alcoholic):		3.00000	30.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		30.00000	50.00000
condiments / relishes:		-	-
confectionery froastings:		5.00000	20.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		5.00000	20.00000
fruit ices:		1.00000	10.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		10.00000	20.00000
imitation dairy:		-	-
instant coffee / tea:		5.00000	50.00000
jams / jellies:		1.00000	10.00000
meat products:		-	-
milk products:		5.00000	20.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		5.00000	20.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		5.00000	20.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		10.00000	20.00000
Edible ices, including sherbet and sorbet (03.0):		1.00000	10.00000
Processed fruit (04.1):		-	-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		5.00000	20.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		-	-
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		-	-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		-	-
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		1.00000	10.00000
Foodstuffs intended for particular nutritional uses (13.0):		-	-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		1.00000	10.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		3.00000	30.00000
Ready-to-eat savouries (15.0):		10.00000	20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		-	-

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):

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

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):579-74-8

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :68481

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

1-(2-methoxyphenyl)ethanone