1-hydroxy-2-butanone
butan-2-one, 1-hydroxy-
 
Notes:
metabolite of 1,3-butadiene. Constit. of coffee and various edible mushrooms. Flavouring ingredient
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      Product(s):
      08-58400 1-HYDROXY-2-BUTANONE, Kosher
       
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1-hydroxybutan-2-one (Click)
CAS Number: 5077-67-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 225-790-6
FDA UNII: M57N50D82D
Nikkaji Web: J203.283J
MDL: MFCD00010259
CoE Number: 11102
XlogP3-AA: -0.20 (est)
Molecular Weight: 88.10616000
Formula: C4 H8 O2
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: acetoin 5.00% to 10.00%
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: 1717  1-hydroxy-2-butanone
Flavis Number: 07.090 (Old)
DG SANTE Food Flavourings: 07.090  1-hydroxybutan-2-one
FEMA Number: 3173  1-hydroxy-2-butanone
FDA Mainterm: 1-HYDROXY-2-BUTANONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 152.00 to  154.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.854000 mm/Hg @ 25.00 °C. (est)
Flash Point: 140.00 °F. TCC ( 60.00 °C. )
logP (o/w): -0.249 (est)
Soluble in:
 alcohol
 ether
 water, 7.211e+005 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: coffee
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 sweet  coffee  musty  grain  malty  butterscotch  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet coffee musty grain malt butterscotch
 
 sweet  brown  coffee  musty  grain  malty  butterscotch  
Odor Description:
Sweet, brown, coffee, musty, grain- and pyrazine-like with malt and butterscotch nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
 
 
Flavor Type: brown
 
 brown  oily  alcoholic  grain toasted grain  
Taste Description:
at 30.00 ppm.  
Brown, oily and alcoholic with toasted grain notes
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
1-Hydroxy-2-butanone 95%
Parchem
1-hydroxy-2-butanone
Penta International
1-HYDROXY-2-BUTANONE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Hydroxy-2-butanone
Tengzhou Xiang Yuan Aroma Chemicals
1-Hydroxy-2-butanone
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Safety Information:
Preferred SDS: View
 
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
Recommendation for 1-hydroxy-2-butanone usage levels up to:
  0.8000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -30.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -30.00000
fruit ices: -30.00000
gelatins / puddings: -80.00000
granulated sugar: --
gravies: --
hard candy: -30.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
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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):
Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 5077-67-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 521300
National Institute of Allergy and Infectious Diseases: Data
 1-hydroxybutan-2-one
Chemidplus: 0005077678
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References:
 1-hydroxybutan-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5077-67-8
Pubchem (cid): 521300
Pubchem (sid): 135290857
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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): HMDB31507
FooDB: FDB008098
Export Tariff Code: 2914.49.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 methyl furfuryl disulfideFL/FR
balsamic
2-acetyl furanFL/FR
 coffee dioneFL/FR
 cycloteneFL/FR
cereal
 bran absoluteFR
2,6-dimethyl pyrazineFL/FR
2-methyl butyraldehydeFL/FR
2,4,5-trimethyl thiazoleFL/FR
citrus
 lime oil distilled terpenelessFL/FR
alpha-methylene citronellalFR
 petitgrain combava oilFR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
floral
 bigarade oxideFR
 citronellyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
bitter orangeflower water absoluteFL/FR
 petitgrain cedrat oilFL/FR
fruity
 butyl anthranilateFL/FR
 ethyl lactateFL/FR
 ethyl methyl anthranilateFL/FR
herbal
 herbal careneFR
 petitgrain heptaneFR
 wormwood oil americaFL/FR
malty
S-methyl methioninium chloride 
medicinal
2,6-xylenolFL/FR
musty
 menthofuranFL/FR
nutty
2-acetyl-3-methyl pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
 filbert heptenoneFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
popcorn
2-acetyl pyrazineFL/FR
spicy
 eugenyl acetateFL/FR
sulfurous
 benzothiazoleFL/FR
 furfuryl thioacetateFL/FR
S-furfuryl thioformateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
tonka
 whiskey lactoneFL/FR
vegetable
1-furfuryl pyrroleFL/FR
 
For Flavor
 
No flavor group found for these
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl ethyl anthranilateFL/FR
 ethyl methyl anthranilateFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
alliaceous
 benzyl mercaptanFL
 dicyclohexyl disulfideFL
burnt
 furfuryl alcoholFL
2-methyl quinoxalineFL
2,6-xylenolFL/FR
caramellic
 caramel furanoneFL
 cycloteneFL/FR
citrus
 lime oil distilled terpenelessFL/FR
 petitgrain cedrat oilFL/FR
cocoa
 butyraldehydeFL
coffee
 coffee difuranFL/FR
 coffee dioneFL/FR
 coffee pyrazineFL
 difurfuryl etherFL
 diisoamyl thiomalateFL
2,4-dimethyl thiazoleFL
 furfuryl mercaptanFL/FR
 methyl furfuryl disulfideFL/FR
2-thiophene thiolFL
corn chip
2-acetyl-2-thiazolineFL
earthy
 difurfuryl sulfideFL
floral
bitter orangeflower water absoluteFL/FR
fruity
 butyl anthranilateFL/FR
 citronellyl anthranilateFL/FR
 ethyl lactateFL/FR
 furfuryl propionateFL
fusel
2-methyl butyraldehydeFL/FR
green
2-methyl-5-isopropyl pyrazineFL
herbal
 wormwood oil americaFL/FR
meaty
 benzothiazoleFL/FR
2-methyl 3-(methyl thio) furanFL
mustard
 furfuryl methyl etherFL
musty
 menthofuranFL/FR
2-methyl 5-(methyl thio) furanFL/FR
nutty
2-acetyl furanFL/FR
2-acetyl-3-methyl pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
3,5-cocoa pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
 filbert heptenoneFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
onion
 furfuryl isopropyl sulfideFL
roasted
2-acetyl pyrazineFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 furfuryl thioacetateFL/FR
solvent
2-ethyl furanFL
spicy
 eugenyl acetateFL/FR
sulfurous
 butyl mercaptanFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
S-furfuryl thioformateFL/FR
 furfuryl thiopropionateFL
S-methyl methioninium chloride 
2-thienyl mercaptanFL
vegetable
1-furfuryl pyrroleFL/FR
woody
 whiskey lactoneFL/FR
 
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Potential Uses:
 butterscotchFR
 coffeeFR
 fungus mushroomFR
 grain 
 maltFR
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Occurrence (nature, food, other): note
 coffee
Search  PMC Picture
 mushroom
Search  PMC Picture
 wood smoke
Search  Picture
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Synonyms:
2-oxobutan-1-ol
 butan-2-one, 1-hydroxy-
2-oxobutanol
2-oxo-1-butanol
2-butanone, 1-hydroxy-
 ethyl hydroxymethyl ketone
1-hydroxybutan-2-one
2-hydroxybutanone
 propionyl carbinol
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