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1-hydroxy-2-butanone

Chemical Structure

General Material Information

Preferred name 1-hydroxy-2-butanone
Trivial Name 1-Hydroxy-2-butanone
Short Description butan-2-one, 1-hydroxy-
Formula C4 H8 O2
CAS Number 5077-67-8
FEMA Number 3173
Flavis Number 7.09
ECHA Number 225-790-6
FDA UNII M57N50D82D
Nikkaji Number J203.283J
MDL MFCD00010259
COE Number 11102
xLogP3-AA -0.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1717 1-hydroxy-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5077-67-8 ; 1-HYDROXY-2-BUTANONE
Synonyms
  • 2-oxo butan-1-ol
  • butan-2-one, 1-hydroxy-
  • 2-oxo butanol
  • 2-oxo-1-butanol
  • 2-butanone, 1-hydroxy-
  • ethyl hydroxymethyl ketone
  • 1-hydroxybutan-2-one
  • 2-hydroxybutanone
  • propionyl carbinol
  • 1-hydroxybutan-2-one
  • 2-Butanone, 1-hydroxy-
  • 2-Oxobutanol
  • 2-Oxobutan-1-ol

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

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Literature & References

1-hydroxybutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5077-67-8
Pubchem (cid):521300
Pubchem (sid):135290857
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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):HMDB31507
FooDB:FDB008098
Export Tariff Code:2914.49.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 88.106163024902
Boiling Point 152 to 154°C @ 760 mm Hg
Vapor Pressure 0.854 mmHg @ 25 °C
Flash Point TCC Value 60 °C TCC
logP (o/w) -0.249 est
Solubility
alcohol Yes
ether Yes
water, 7.211e+005 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Coffee
sweet, coffee, musty, grain, malty, butterscotch, brown
General comment At 10.00 % in dipropylene glycol. sweet coffee musty grain malt butterscotch
Mosciano, Gerard P&F 22, No. 3, 47, (1997) Sweet, brown, coffee, musty, grain- and pyrazine-like with malt and butterscotch nuances
Flavor Type: Brown
brown, oily, alcoholic, grain toasted grain
Mosciano, Gerard P&F 22, No. 3, 47, (1997) At 30.00 ppm. Brown, oily and alcoholic with toasted grain notes

Occurrences

Potential Uses

Applications
Odor purposes Butterscotch, Coffee, Fungus, Malt
Flavoring purposes Grain

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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