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

acetone alcohol
hydroxyacetone

Sponsors

Name:1-hydroxypropan-2-one
CAS Number: 116-09-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-124-8
FDA UNII:7I7YM0835W
Nikkaji Web:J2.470H
Beilstein Number:0605368
MDL:MFCD00004669
CoE Number:11101
XlogP3-AA:-0.70 (est)
Molecular Weight:74.07922000
Formula:C3 H6 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1945 hydroxyacetone
FLAVIS Number:07.169 (Old)
DG SANTE Food Flavourings:07.169 1-hydroxypropan-2-one
FEMA Number:4462 hydroxyacetone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HYDROXYACETONE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.08400 to 1.09000 @ 25.00 °C.
Pounds per Gallon - (est).: 9.020 to 9.070
Refractive Index:1.42000 to 1.42600 @ 20.00 °C.
Melting Point: -17.00 °C. @ 760.00 mm Hg
Boiling Point: 145.00 to 146.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.914000 mm/Hg @ 25.00 °C. (est)
Flash Point: 133.00 °F. TCC ( 56.11 °C. )
logP (o/w): -0.780 (est)
Soluble in:
 alcohol
 water, 1.00E+06 mg/L @ 20 °C (exp)
Similar Items:note
acetone
acetone peroxide
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
pungent sweet caramellic ethereal
Odor Description:at 10.00 % in dipropylene glycol. pungent sweet caramellic ethereal
Flavor Type: sweet
sweet green burnt
Taste Description: sweet slightly green burnt
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Haibei
Hydroxy Acetone
Beijing Lys Chemicals
1-Hydroxy-2-propanone (Acetol)
BOC Sciences
For experimental / research use only.
1-Hydroxyacetone
DeLong Chemicals America
1-Hydroxy-2-propanone, Kosher
Metadynea Austria
Hydroxyacetone HP
Penta International
ACETOL NATURAL 1% IN ETHYL ALCOHOL, Kosher
Penta International
ACETOL NATURAL 5% IN ETHYL ALCOHOL, Kosher
Penta International
ACETOL NATURAL, Kosher
Penta International
ACETOL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Hydroxyacetone ≥90%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Hydroxyacetone technical grade, 90%
TCI AMERICA
For experimental / research use only.
Hydroxyacetone >80.0%(GC)
Zanos
Hydroxyacetone
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
 
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-rat LD50 2200 mg/kg
(Smyth & Carpenter, 1948)

oral-rat LD50 2200 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for acetone alcohol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.22 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/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: 24
 average usual ppmaverage maximum ppm
baked goods: 0.002001.50000
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): 4.0000020.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.001000.80000
confectionery froastings: 0.002001.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 4.0000020.00000
granulated sugar: --
gravies: --
hard candy: 0.002001.50000
imitation dairy: --
instant coffee / tea: 10.0000050.00000
jams / jellies: 0.001000.80000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.002001.50000
snack foods: --
soft candy: 10.0000050.00000
soups: 0.000400.30000
sugar substitutes: --
sweet sauces: 0.001000.80000
 
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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th 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 from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

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

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):116-09-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8299
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:1
1-hydroxypropan-2-one
Chemidplus:0000116096
RTECS:UC2800000 for cas# 116-09-6
 
References:
 1-hydroxypropan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:116-09-6
Pubchem (cid):8299
Pubchem (sid):134975366
 
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
CHEBI:View
KEGG (GenomeNet):C05235
HMDB (The Human Metabolome Database):HMDB06961
FooDB:FDB012041
Export Tariff Code:2914.49.5000
FDA Listing of Food Additive Status:View
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:Hydroxyacetone
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
balsamic
2-
acetyl furan
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl furaneol
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
strawberry furanone solution
FL/FR
toffee furanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
creamy
gamma-
butyrolactone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
fatty
(E)-2-
octenal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
(Z)-3-
hexen-1-yl salicylate
FL/FR
rose butanoate
FL/FR
fruity
iso
butyl 2-butenoate
FL/FR
iso
butyl isovalerate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl lactate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
(E)-
ethyl tiglate
FL/FR
neryl isobutyrate
FL/FR
prenyl acetate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
hexyl isobutyrate
FL/FR
phenethyl tiglate
FL/FR
herbal
butyl levulinate
FL/FR
clary sage absolute
FL/FR
honey
methyl phenyl acetate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
ketoiso
phorone
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
1,2-
cyclohexane dione
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
methyl heptadienone
FL/FR
(E)-
tiglic acid
FL/FR
sweet
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
1,2-
cyclohexane dione
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
mango furanone
FL
menthone lactone
FL/FR
rosa canina seed extract
FL
rosefuran
FL/FR
strawberry furanone ethyl ether
FL
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
dextro,laevo-
tartaric acid
FL
brown
2-oxo
butyric acid
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl furaneol
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
pyruvaldehyde
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
strawberry furanone solution
FL/FR
toffee furanone
FL/FR
citrus
ketoiso
phorone
FL/FR
coffee
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
2-
propanoyl thiophene
FL
fatty
(E)-2-
octenal
FL/FR
(E,E)-2,4-
undecadienal
FL
2,4-
undecadienal
FL
floral
methyl phenyl acetate
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl lactate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
methyl (E)-2-octenoate
FL/FR
neryl isobutyrate
FL/FR
2-
pentanoyl furan
FL
prenyl acetate
FL/FR
rose butanoate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
iso
butyl isovalerate
FL/FR
clary sage absolute
FL/FR
2-
furyl acetone
FL
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl isobutyrate
FL/FR
immortelle absolute
FL/FR
methyl heptadienone
FL/FR
phenethyl tiglate
FL/FR
2-
propyl pyrazine
FL
2-
vinyl pyrazine
FL
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
malty
hordeum vulgare extract (cereal grass)
FL
milky
gamma-
butyrolactone
FL/FR
mushroom
methional diethyl acetal
FL
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
roasted
acer spicatum bark extract
FL
rummy
ethyl pyruvate
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
honey distillates
FL
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
 
Potential Uses:
FLabsinthe
FLbarley
FLbutterscotch
FLcappuccino
FLcaramel
FLchicory root
FLcoffee
FL/FRfenugreek
 gingerbread
FLgraham cracker
FL/FRimmortelle
FLmalt
FLmaple
FLmolasses
FLpraline
FLtoffee
FRwormwood oil replacer
 
Occurrence (nature, food, other):note
 coffee - up to 4 mg/kg
Search PMC Picture
 pepper bell pepper fruit
Search Trop Picture
 rice cakes
PbMd Search PMC Picture
 wood smoke
Search Picture
 
Synonyms:
 acetol
 acetol natural
 acetol natural 1% in ethyl alcohol
 acetol natural 5% in ethyl alcohol
 acetomethanol
 acetone, 1-hydroxy-
 acetyl carbinol
 acetyl methanol
 acetylcarbinol
 acetylmethanol
1-hydroxy-2-propanone
1-hydroxy-2-propanone (acetol)
1-hydroxy-propan-2-one
 hydroxyacetone
1-hydroxyacetone
a-hydroxyacetone
 hydroxymethyl methyl ketone
1-hydroxypropan-2-one
 hydroxypropanone
 methylketol
1-oxidanylpropan-2-one
2-oxopropan-1-ol
2-oxopropanol
2-propanone, 1-hydroxy-
2-ketopropyl alcohol
2-oxopropyl alcohol
 pyruvic alcohol
 pyruvinalcohol
 rongal 5242
 
 
Notes:
Present in beer, tobacco and honey Hydroxyacetone is an intermediate in glycine, serine and threonine metabolism (KEGG: C05235). It is generated from methylglyoxal via the oxidoreductases [EC 1.1.1.-].
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