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

diacetone alcohol
4-hydroxy-4-methylpentan-2-one

Supplier Sponsors

Name:4-hydroxy-4-methylpentan-2-one
CAS Number: 123-42-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-626-7
FDA UNII: Q7WP157PTD
Nikkaji Web:J5.540I
Beilstein Number:1740440
MDL:MFCD00004471
XlogP3-AA:-0.20 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:indirect food additives: adhesives and components of coatings
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:07.165 4-hydroxy-4-methylpentan-2-one
FDA Mainterm (IAUFC):123-42-2 ; DIACETONE ALCOHOL
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92900 to 0.93500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.730 to 7.780
Refractive Index:1.41800 to 1.42400 @ 20.00 °C.
Boiling Point: 164.00 to 166.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.710000 mmHg @ 25.00 °C.
Vapor Density:4.0 ( Air = 1 )
Flash Point: 143.00 °F. TCC ( 61.67 °C. )
logP (o/w): 0.026 (est)
Soluble in:
 alcohol
 water, 6.512e+005 mg/L @ 25 °C (est)
 water, 1.00E+06 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: fragrance
solvents
 
Suppliers:
Arkema
Diacetone Alcohol
Odor: characteristic
Use: It can also be used for the treatment of textiles and leather, in chemical synthesis or as a cleaning solvent.
ECSA Chemicals
DIACETONE ALCOHOL RE-PURE, ML 1000
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
ECSA Chemicals
DIACETONE ALCOHOL
EMD Millipore
For experimental / research use only.
4-Hydroxy-4-methyl-2-pentanone
Penta International
DIACETONE ALCOHOL
Santa Cruz Biotechnology
For experimental / research use only.
4-Hydroxy-4-methyl-2-pentanone ≥98%
Shiva Chemicals and Pharmaceuticals
Diacetone Alcohol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Hydroxy-4-methyl-2-pentanone 99%
Silver Fern Chemical
Diacetone Alcohol
Odor: characteristic
Use: Diacetone alcohol is mainly used as a solvent in industrial and professional applications in coatings, cleaning, oil and gas filed drilling, lubricants, metal working fluids, polymer processing and water treatment. It is found in a number of consumer products such as adhesives, inks, paints, household cleaners and agrochemicals. The substance is also a chemical intermediate for the preparation of other compounds.
TCI AMERICA
For experimental / research use only.
Diacetone Alcohol >98.0%(GC)
Universal Preserv-A-Chem Inc.
DIACETONE ALCOHOL
Odor: characteristic
Use: It is used in cellulose ester lacquers, particularly of the brushing type, where it produces brilliant gloss and hard film and where its lack of odor is desirable. It is used in lacquer thinners, dopes, wood stains, wood preservatives and printing pastes; in coating compositions for paper and textiles; permanent markers; in making artificial silk and leather; in imitation gold leaf; in celluloid cements; as a preservative for animal tissue; in metal cleaning compounds; in the manufacture of photographic film; and in hydraulic brake fluids, where it is usually mixed with an equal volume of castor oil.
Wedor Corporation
DIACETONE ALCOHOL
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing 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:
gavage-rat LD50 [sex: M] 4920 mg/kg
(Myers et al., 1977a)

oral-rat LD50 4000 mg/kg
(Smyth, 1946a)

oral-mouse LD50 3950 mg/kg
(Smyth, 1946a)

intraperitoneal-mouse LD50 933 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.

oral-mouse LD50 3950 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.

intramuscular-rabbit LDLo 2792 mg/kg
BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 175, 1928.

intravenous-rabbit LDLo 2792 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 175, 1928.

oral-rabbit LDLo 4653 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 175, 1928.

oral-rat LD50 2520 mg/kg
LIVER: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0557732

intravenous-rat LDLo 3024 mg/kg
BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 175, 1928.

Dermal Toxicity:
skin-rabbit LD50 13500 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 21, 1974.

Inhalation Toxicity:
inhalation-human TCLo 100 ppm
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 21, 1974.

inhalation-human TCLo 400 ppm
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 21, 1974.

inhalation-rat LCLo 1000 ppm/4H
National Technical Information Service. Vol. OTS0557741

 
Safety in Use Information:
Category:
indirect food additives: adhesives and components of coatings
Recommendation for diacetone alcohol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.085 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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
Chewing gum (05.3): --
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) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-42-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31256
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1148
WGK Germany:1
4-hydroxy-4-methylpentan-2-one
Chemidplus:0000123422
EPA/NOAA CAMEO:hazardous materials
RTECS:123-42-2
 
References:
 4-hydroxy-4-methylpentan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:123-42-2
Pubchem (cid):31256
Pubchem (sid):134974563
Pherobase:View
 
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 Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31511
FooDB:FDB008104
Export Tariff Code:2914.40.1000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: technical; acetone-free; reagent.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 chicken roasted chicken - up to 0.07 mg/kg
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 osmanthus
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 papaya fruit
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 wood smoke
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Synonyms:
 acetonyl dimethyl carbinol
 acetonyldimethylcarbinol
 diketone alcohol
 dimethyl acetonyl carbinol
4-hydroxy-2-keto-4-methylpentane
2-hydroxy-2-methyl-4-pentanone
3-hydroxy-3-methyl-2-pentanone
4-hydroxy-4-methyl pentan-2-one
4-hydroxy-4-methyl-2-pentanone
4-hydroxy-4-methyl-pentan-2-one
4-hydroxy-4-methylpentan-2-one
2-methyl-2-pentanol-4-one
4-methyl-4-oxidanyl-pentan-2-one
2-pentanone, 4-hydroxy-4-methyl-
 pyranton A
 tyranton
 
 
Notes:
skin irritant & catalyst for the resin used in fiberglass manufacture. Isol. from the arctic bramble Rubus arcticus
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