EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

acetovanillone
1-acetyl-4-hydroxy-3-methoxybenzene

Supplier Sponsors

CAS Number: 498-02-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-854-5
FDA UNII:B6J7B9UDTR
Nikkaji Web:J13.670K
Beilstein Number:0637373
MDL:MFCD00008747
CoE Number:11035
XlogP3:0.50 (est)
Molecular Weight:166.17630000
Formula:C9 H10 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:07.142 (Old)
DG SANTE Food Flavourings:07.142 acetovanillone
 
Physical Properties:
Appearance:pale yellow to yellowish tan powder (est)
Assay: 95.00 to 100.00
Water Content:0.50 max.
Food Chemicals Codex Listed: No
Melting Point: 113.00 to 115.00 °C. @ 760.00 mm Hg
Boiling Point: 263.00 to 265.00 °C. @ 17.00 mm Hg
Boiling Point: 297.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.389 (est)
Soluble in:
 alcohol
 water, 5000 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: vanilla
Odor Strength:low
sweet vanilla
Odor Description:at 100.00 %. faint sweet vanillin
Flavor Type: vanilla
vanilla
Taste Description: vanillin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Acetovanillone >98%
Carbosynth
For experimental / research use only.
Apocynin
EMD Millipore
For experimental / research use only.
Apocynin
ExtraSynthese
For experimental / research use only.
Acetovanillon (HPLC) ≥95%
Frinton Laboratories
For experimental / research use only.
4'-Hydroxy-3'-methoxyacetophenone
Lluch Essence
ACETOVANILLONE
Penta International
ACETOVANILLONE
Santa Cruz Biotechnology
For experimental / research use only.
Apocynin
Sigma-Aldrich
Acetovanillone, ≥98%, FG
Odor: vanilla
Certified Food Grade Products
Synerzine
Acetovanillone
TCI AMERICA
For experimental / research use only.
4'-Hydroxy-3'-methoxyacetophenone >98.0%(GC)
 
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.
Oral/Parenteral Toxicity:
oral-mouse LD50 9000 mg/kg
Bromatologia i Chemia Toksykologiczna. Vol. 14, Pg. 301, 1981.

intraperitoneal-mouse LD50 650 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for acetovanillone usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (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 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
ClinicalTrials.gov:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):498-02-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :2214
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(4-hydroxy-3-methoxyphenyl)ethanone
Chemidplus:0000498022
RTECS:AM8800000 for cas# 498-02-2
 
References:
 1-(4-hydroxy-3-methoxyphenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:498-02-2
Pubchem (cid):2214
Pubchem (sid):134977590
Flavornet:498-02-2
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Metabolomics Database:Search
KEGG (GenomeNet):C11380
HMDB (The Human Metabolome Database):Search
FooDB:FDB012055
YMDB (Yeast Metabolome Database):YMDB01631
Export Tariff Code:2914.70.2000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
bird of paradise fragrance
FR
anisic
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
para-
anisaldehyde
FL/FR
methyl para-anisate
FL/FR
balsamic
benzoin
FL/FR
siam
benzoin absolute
FL/FR
sumatra
benzoin absolute
FL/FR
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
sumatra
benzoin resin
FL/FR
siam
benzoin resin
FL/FR
benzoin resin replacer
FR
sumatra
benzoin resinoid
FL/FR
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
guaiacyl phenyl acetate
FL/FR
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
levulinic acid
FL/FR
chemical
styralyl alcohol
FL/FR
chocolate
chocolate specialty
FR
vanillyl ethyl ether
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coumarinic
coumane
FL/FR
creamy
butyl lactate
FL/FR
geranyl ethyl acetal
FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
floral
acetophenone
FL/FR
coffee flower absolute
FR
para-
cresyl laurate
FL/FR
heliotropin
FL/FR
para-
methyl acetophenone
FL/FR
beta-
naphthyl methyl ketone
FL/FR
fruity
para-
anisyl propionate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
guaiacyl propionate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
vanilla carboxylate
FL/FR
minty
menthoxypropane diol
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
musk
ethylene brassylate
FL/FR
omega-
pentadecalactone
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
para-
methyl anisole
FL/FR
nutty
nutty cyclohexenone
FL/FR
resorcinol
FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
phenolic
ethyl vanillate
FL/FR
ortho-
guaiacol
FL/FR
powdery
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
spicy
para-
anisyl formate
FL/FR
dianthus ethone
FR
4-
ethyl guaiacol
FL/FR
3-(2-
furyl) acrolein
FL/FR
para-
methoxycinnamaldehyde
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
4-
methyl guaiacol
FL/FR
spicy acetoacetate
FL/FR
zingerone
FL/FR
sweet
tonka bean absolute replacer
FR
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit absolute
FR
vanilla tahitensis fruit absolute CO2 extract
FL/FR
vanilla tahitensis fruit extract
FL/FR
vanilla tahitensis fruit oil CO2 extract
FR
tonka
coumarin
FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
crème brulee fragrance
FR
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin acetate
FR
ethyl vanillin diethyl acetal
FR
ethyl vanillin hexylene glycol acetal
FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
heliotropyl alcohol
FL/FR
methyl vanillate
FL/FR
propenyl guaethol
FL/FR
vanilla
FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean fragrance
FR
vanilla bean oil (vanilla planifolia)
FR
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla bean tincture
FR
vanilla cresol
FR
vanilla extract
FL/FR
country
vanilla fragrance
FR
vanilla fragrance
FR
french
vanilla fragrance
FR
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit infusion
FR
vanilla planifolia fruit water
FL/FR
vanilla specialty
FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin hexylene glycol acetal
FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl butyl ether
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
waxy
ethyl palmitate
FL/FR
woody
guaiacwood extract acetate
FR
guaiacyl acetate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
For Flavor
No flavor group found for these
para-
anisyl propionate
FL/FR
benzoin
FL/FR
1-
benzoyl acetone
FL/FR
coumane
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
3-(2-
furyl) acrolein
FL/FR
glucoethyl vanillin
FL
glucovanillin
FL
guaiacyl propionate
FL/FR
heliotropyl alcohol
FL/FR
menthoxypropane diol
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
4-
methoxysalicylaldehyde
FL
methyl para-anisate
FL/FR
methyl vanillate
FL/FR
vanilla tahitensis fruit absolute CO2 extract
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
vanillyl butyl ether
FL/FR
vanilmandelic acid
FL
acidic
acidic
levulinic acid
FL/FR
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
balsamic
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
sumatra
benzoin resinoid
FL/FR
siam
benzoin resinoid
FL/FR
peru balsam
FL
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
vanillylidene acetone
FL/FR
berry
raspberry ketone methyl ether
FL/FR
bready
2-
propionyl thiazole
FL
buttery
butter cream frosting flavor
FL
butter nut vanilla flavor
FL
butter vanilla nut flavor
FL
chemical
styralyl alcohol
FL/FR
cherry
heliotropin
FL/FR
para-
methoxycinnamaldehyde
FL/FR
coconut
6-
methyl coumarin
FL
octahydrocoumarin
FL/FR
creamy
alpha-
angelica lactone
FL/FR
para-
anisaldehyde
FL/FR
dihydrocoumarin
FL
divanillin
FL
ethyl vanillate
FL/FR
gamma-
hexalactone
FL/FR
4-
hydroxybenzaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
dairy
butyl lactate
FL/FR
fatty
diacetyl trimer
FL
floral
beta-
naphthyl methyl ketone
FL/FR
fruity
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
ethyl 3-oxohexanoate
FL
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
methyl sorbate
FL
tolualdehydes (mixed o,m,p)
FL/FR
vanilla carboxylate
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
musk
ethylene brassylate
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
para-
methyl anisole
FL/FR
nutty
furfural acetone
FL
nutty cyclohexenone
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
powdery
acetophenone
FL/FR
powdery ketone
FL
rummy
vanillyl ethyl ether
FL/FR
spicy
para-
anisyl formate
FL/FR
siam
benzoin absolute
FL/FR
sumatra
benzoin absolute
FL/FR
root beer float flavor
FL
spicy acetoacetate
FL/FR
chai
vanilla flavor
FL
zingerone
FL/FR
sweet
ethyl 3-(2-hydroxyphenyl) propionate
FL
orange vanilla cream flavor
FL
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla bean aromatica
FL
vanilla bean planifolia
FL
vanilla butter nut flavor
FL
vanilla concentrate
FL
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit extract
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
vanilla
chai flavor
FL
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanilla
ice cream flavor
FL
4-
methyl guaiacol
FL/FR
omega-
pentadecalactone
FL/FR
propenyl guaethol
FL/FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean flavor key
FL
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla bean paste
FL
vanilla bean powder
FL
vanilla bean tahitensis
FL
vanilla distillates
FL
vanilla extract
FL/FR
french
vanilla flavor
FL
bourbon
vanilla flavor
FL
vanilla flavor
FL
bakers white
vanilla flavor
FL
vanilla flavor key
FL
vanilla hazelnut flavor
FL
vanilla macadamia nut flavor
FL
vanilla nut creme flavor
FL
vanilla pandan flavor
FL
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit water
FL/FR
vanilla powder flavor
FL
vanilla swirl flavor
FL
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
para-
cresyl laurate
FL/FR
ethyl palmitate
FL/FR
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
FRamber
FLbrandy apple brandy
FLbacon
FLbeef
FLbeef roasted beef
FL/FRbenzoin absolute replacer
FLcappuccino
FLchicken
FLchicory root
FRcoffee
FRcognac
FL/FRfenugreek
FLfish
FRfloral
FRhawthorn
FRheliotrope
FLlamb
FLliver
FLmarshmallow
FLmeat
FLmeat grilled meat
FLmeat roasted meat
FLmeat smoked meat
FRmoss
FRperu balsam
FLpork
FLsaki
FLsalami
FLshellfish
FRsherry
FLtequila
FLturkey
FRvanilla
FLvermouth
FLwhiskey
FRwine
FRwormwood oil replacer
 
Occurrence (nature, food, other):note
 asparagus - 0.08 mg/kg
PbMd Search Trop Picture
 bacon cooked bacon
Search PMC Picture
 beer - up to 0.03 mg/kg
Search PMC Picture
 cloudberry fruit - 0.15 mg/kg
Search Trop Picture
 coffee - up to 4 mg/kg
Search PMC Picture
 corn
Search Trop Picture
 fish lean fish - up to 0.6 mg/kg
Search PMC Picture
 onion
Search Trop Picture
 pork - 9.3 mg/kg
Search PMC Picture
 sherry - 0.15 mg/kg
Search PMC Picture
 wine red wine - up to 1227 mg/kg
Search Picture
 wort - up to 0.09 mg/kg
Search Picture
 
Synonyms:
 acetoguaiacone
 acetovanillon
4-acetyl-2-methoxyphenol
1-acetyl-4-hydroxy-3-methoxybenzene
 apocynin
apocynine
 ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
1-(4-hydroxy-3-methoxy-phenyl)-ethanone
4-hydroxy-3-methoxyacetophenone
4-hydroxy-3-methoxyphenyl methyl ketone
1-(4-hydroxy-3-methoxyphenyl) ethanone
1-(4-hydroxy-3-methoxyphenyl)-ethanone
1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
1-(4-hydroxy-3-methoxyphenyl)ethanon
1-(4-hydroxy-3-methoxyphenyl)ethanone
4'-hydroxy-3'-methoxyacetophenone
3-methoxy-4-hydroxyacetophenone
 
 
Notes:
obtained from the rhizomes of several species of apocynum; a selective inhibitor of nadph oxidase.
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