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

1-hydroxy-2-butanone
butan-2-one, 1-hydroxy-

Sponsors

Name:1-hydroxybutan-2-one
CAS Number: 5077-67-8Picture of molecule3D/inchi
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
 
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)
 
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).
 
Cosmetic Information:
None found
 
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
 
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
 
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
 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: --
 
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
 
References:
 1-hydroxybutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5077-67-8
Pubchem (cid):521300
Pubchem (sid):135290857
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
balsamic
2-
acetyl furan
FL/FR
caramellic
coffee dione
FL/FR
cyclotene
FL/FR
cereal
bran absolute
FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
lime oil distilled terpeneless
FL/FR
alpha-
methylene citronellal
FR
petitgrain combava oil
FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
floral
bigarade oxide
FR
citronellyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
bitter
orangeflower water absolute
FL/FR
petitgrain cedrat oil
FL/FR
fruity
butyl anthranilate
FL/FR
ethyl lactate
FL/FR
ethyl methyl anthranilate
FL/FR
herbal
herbal carene
FR
petitgrain heptane
FR
wormwood oil america
FL/FR
medicinal
2,6-
xylenol
FL/FR
musty
menthofuran
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
spicy
eugenyl acetate
FL/FR
sulfurous
benzothiazole
FL/FR
furfuryl thioacetate
FL/FR
S-
furfuryl thioformate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
tonka
whiskey lactone
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
For Flavor
No flavor group found for these
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl ethyl anthranilate
FL/FR
ethyl methyl anthranilate
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
alliaceous
alliaceous
benzyl mercaptan
FL
dicyclohexyl disulfide
FL
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
2,6-
xylenol
FL/FR
caramellic
caramel furanone
FL
cyclotene
FL/FR
citrus
lime oil distilled terpeneless
FL/FR
petitgrain cedrat oil
FL/FR
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
coffee dione
FL/FR
coffee pyrazine
FL
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
2-
thiophene thiol
FL
corn chip
2-
acetyl-2-thiazoline
FL
earthy
difurfuryl sulfide
FL
floral
bitter
orangeflower water absolute
FL/FR
fruity
butyl anthranilate
FL/FR
citronellyl anthranilate
FL/FR
ethyl lactate
FL/FR
furfuryl propionate
FL
fusel
2-
methyl butyraldehyde
FL/FR
green
2-
methyl-5-isopropyl pyrazine
FL
herbal
wormwood oil america
FL/FR
meaty
benzothiazole
FL/FR
2-
methyl 3-(methyl thio) furan
FL
mustard
furfuryl methyl ether
FL
musty
menthofuran
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2-
acetyl furan
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
3,5(6)-
cocoa pyrazine
FL
3,5-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
onion
furfuryl isopropyl sulfide
FL
roasted
2-
acetyl pyrazine
FL/FR
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
solvent
2-
ethyl furan
FL
spicy
eugenyl acetate
FL/FR
sulfurous
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
S-
furfuryl thioformate
FL/FR
furfuryl thiopropionate
FL
2-
thienyl mercaptan
FL
vegetable
1-
furfuryl pyrrole
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FRbutterscotch
FRcoffee
FRfungus mushroom
 grain
FRmalt
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 mushroom
Search PMC Picture
 wood smoke
Search Picture
 
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
 
 
Notes:
metabolite of 1,3-butadiene. Constit. of coffee and various edible mushrooms. Flavouring ingredient
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