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

methyl acetyl acetone
2,4-pentanedione, 3-methyl- (8CI)(9CI)

Supplier Sponsors

Name:3-methylpentane-2,4-dione
CAS Number: 815-57-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:212-420-3
Nikkaji Web:J110.475F
MDL:MFCD00008762
XlogP3-AA:0.40 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.97500 to 0.98100 @ 20.00 °C.
Pounds per Gallon - (est).: 8.122 to 8.172
Refractive Index:1.44200 to 1.44600 @ 20.00 °C.
Boiling Point: 170.00 to 173.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.295000 mm/Hg @ 25.00 °C. (est)
Flash Point: 134.00 °F. TCC ( 56.67 °C. )
logP (o/w): 0.623 (est)
Soluble in:
 alcohol
 water, 4.18e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2,4-pentanedione, mixture of tautomers
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-2,4-pentanedione, technical grade, 85%, mixture of tautomers
TCI AMERICA
For experimental / research use only.
3-Methyl-2,4-pentanedione >96.0%(T)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for methyl acetyl acetone usage levels up to:
 not for fragrance use.
 
Recommendation for methyl acetyl acetone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69949
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
3-methylpentane-2,4-dione
Chemidplus:0000815576
 
References:
 3-methylpentane-2,4-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69949
Pubchem (sid):135027104
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
1,1-diacetylethane
3-methyl pentane-2,4-dione
3-methyl-2,4-pentane dione (mixture of tautomers)
3-methyl-2,4-pentanedione
3-methylpentane-2,4-dione
2,4-pentanedione, 3-methyl-
2,4-pentanedione, 3-methyl- (8CI)(9CI)
 
 
Notes:
None found
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