ortho-acetyl-para-cresol
2-hydroxy-5-methylacetophenone
 
Notes:
Flavouring for coffee
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      Product(s):
      H0790 2'-Hydroxy-5'-methylacetophenone >98.0%(GC)
       
Synonyms   Articles   Notes   Search
1-(2-hydroxy-5-methylphenyl)ethanone (Click)
CAS Number: 1450-72-2Picture of molecule
ECHA EINECS - REACH Pre-Reg: 215-915-2
FDA UNII: 11661U1ZEN
Nikkaji Web: J128G
Beilstein Number: 1364840
MDL: MFCD00002380
XlogP3: 2.30 (est)
Molecular Weight: 150.17710000
Formula: C9 H10 O2
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
JECFA Food Flavoring: 2045  2-hydroxy-5-methylacetophenone
FEMA Number: 4594  2-hydroxy-5-methylacetophenone
FDA Mainterm: 2-HYDROXY-5-METHYLACETOPHENONE
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Physical Properties:
Appearance: colorless to pale yellow crystalline solid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 50.00 °C. @ 760.00 mm Hg
Boiling Point: 210.00 °C. @ 760.00 mm Hg
Boiling Point: 120.00 to  125.00 °C. @ 20.00 mm Hg
Vapor Pressure: 0.021000 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 1.941 (est)
Soluble in:
 alcohol
 water, 2038 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 sweet  floral  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
sweet heavy floral herbal
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
2-Hydroxy-5-methylacetophenone
Santa Cruz Biotechnology
For experimental / research use only.
2'-Hydroxy-5'-methylacet
Sigma-Aldrich: Aldrich
For experimental / research use only.
2'-Hydroxy-5'-methylacetophenone 98%
TCI AMERICA
For experimental / research use only.
2'-Hydroxy-5'-methylacetophenone >98.0%(GC)
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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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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
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Safety in Use Information:
Category: flavor and fragrance agents
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.100000.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.050000.30000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.050000.30000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 0.100000.50000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.050000.30000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 1450-72-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15068
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-(2-hydroxy-5-methylphenyl)ethanone
Chemidplus: 0001450722
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References:
 1-(2-hydroxy-5-methylphenyl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 15068
Pubchem (sid): 134980004
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32592
FooDB: FDB010529
Export Tariff Code: 2914.50.2000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 2-Hydroxy-5-methylacetophenone
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
 cyclohexyl benzoateFL/FR
burnt
 lepidineFL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
beta-bisabololFL/FR
2-heptanolFL/FR
 jambu flower oil brazil 
earthy
2-octanoneFL/FR
floral
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 benzyl pivalateFL/FR
 butyl tiglateFR
 cassie absolute replacerFL/FR
 cassis cyclohexeneFR
 citronellalFL/FR
 coriander seed oilFL/FR
 cymbopogon validus leaf oilFR
 dihydromyrceneFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 eau de brouts absoluteFR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 heather fragranceFR
 heliotrope absoluteFR
 herbal pyranFR
 hexyl oxyacetonitrile 
 ho leaf oilFR
 ilex paraguariensis oleoresinFL/FR
beta-ionolFL/FR
isojasmoneFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandin concrete decolorizedFR
abrialis lavandin oilFL/FR
 lavandin oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender absolute replacerFR
 lavender oilFL/FR
 lavender oil bulgariaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lavender oil replacerFR
 methyl nerate 
 nonisyl propionateFR
(Z)-beta-ocimeneFL/FR
 pelargonium graveolens flower waterFR
isophytolFL/FR
 prenyl salicylateFL/FR
 sambucus nigra flower oil CO2 extractFR
 terpinyl isobutyrateFL/FR
 tetrahydrolinalyl acetateFR
fruity
 sambucus canadensis fruit absoluteFL/FR
green
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
isobutyl benzyl carbinolFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl angelateFR
 marigold pot absoluteFL/FR
 nerol oxideFL/FR
herbal
 calendula officinalis flower oil CO2 extractFR
 cananga fruit oilFR
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 chamomile isobutyrateFR
 chrysanthemum ketoneFR
 coriander seed absoluteFL/FR
 freesia heptanolFL/FR
 inula root oilFR
 lavandin flower waterFR
 lavender absolute bulgariaFL/FR
 lavender absolute franceFL/FR
 lavender concreteFL/FR
 lavender oil terpenelessFL/FR
 lavender oil terpenesFL/FR
 lavender stem oil lithuaniaFR
 marigold pot flower oilFL/FR
laevo-menthyl propionateFL/FR
 methyl cyclogeranateFR
 methyl ortho-anisateFL/FR
 myrtle oilFL/FR
 myrtle oil moroccoFL/FR
 nonisyl acetateFR
 rosmarinus officinalis extractFL/FR
2,4,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
spicy
 carnation absoluteFR
woody
2-decalinyl acetateFR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 benzyl pivalateFL/FR
 cassie absolute replacerFL/FR
 cyclohexyl benzoateFL/FR
8,9-dehydrotheaspironeFL
 hexyl oxyacetonitrile 
 ilex paraguariensis oleoresinFL/FR
 jambu flower oil brazil 
 lavender oil terpenesFL/FR
 marigold pot flower oilFL/FR
laevo-menthyl propionateFL/FR
 methyl nerate 
 methyl ortho-anisateFL/FR
 myrtle oil moroccoFL/FR
 terpinyl isobutyrateFL/FR
2,4,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
(E)-4-undecenalFL
 zdravetz oilFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
balsamic
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
citrus
beta-bisabololFL/FR
 freesia heptanolFL/FR
dairy
2-octanoneFL/FR
fatty
 heptyl formateFL/FR
floral
 citronellalFL/FR
beta-ionolFL/FR
 lepidineFL/FR
fruity
2-heptanolFL/FR
 sambucus canadensis fruit absoluteFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl salicylateFL/FR
isojasmoneFL/FR
 marigold pot absoluteFL/FR
 nerol oxideFL/FR
(Z)-beta-ocimeneFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 lavandin oilFL/FR
abrialis lavandin oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender absolute bulgariaFL/FR
 lavender absolute franceFL/FR
 lavender concreteFL/FR
 lavender oilFL/FR
 lavender oil bulgariaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lavender oil terpenelessFL/FR
 prenyl salicylateFL/FR
 rosmarinus officinalis extractFL/FR
oily
isophytolFL/FR
spicy
 myrtle oilFL/FR
woody
(Z)-jasmoneFL/FR
 
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Potential Uses:
 coffeeFR
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Occurrence (nature, food, other): note
 coffee bean
Search Trop  Picture
 walnut black walnut oil
Search Trop  Picture
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Synonyms:
 acetophenone, 2'-hydroxy-5'-methyl-
2-acetyl-1-hydroxy-4-methylbenzene
1-acetyl-2-hydroxy-5-methylbenzene
2-acetyl-4-methyl phenol
2-acetyl-4-methylphenol
2-acetyl-p-cresol
o-acetyl-p-cresol
ortho-acetyl-p-cresol
2-acetyl-para-cresol
o-acetyl-para-cresol
 ethanone, 1-(2-hydroxy-5-methylphenyl)-
 ethanone,1-(2-hydroxy-5-methylphenyl)-
1-hydroxy-2-acetyl-4-methyl benzene
1-hydroxy-2-acetyl-4-methylbenzene
2-hydroxy-5-methyl acetophenone
2-hydroxy-5-methyl-acetophenone
2-hydroxy-5-methylacetophenone
1-(2-hydroxy-5-methylphenyl) ethanone
1-(2-hydroxy-5-methylphenyl)-1-ethanone
1-(2-hydroxy-5-methylphenyl)ethan-1-one
1-(2-hydroxy-5-methylphenyl)ethanone
2'-hydroxy-5'-methyl acetophenone
2'-hydroxy-5'-methylacetophenone
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