acetonyl acetone
2,5-hexadione
Identification
| Name | acetonyl acetone |
| IUPAC | hexane-2,5-dione |
| CAS Number | 110-13-4 |
| EINECS | 203-738-3 |
| FDA UNII | C0Z8884J3P |
| Molecular Formula | C6 H10 O2 |
| Molecular Weight | 114.14410000 |
| MDL Number | MFCD00008792 |
| Nikkaji Number | J5.518B |
| Beilstein | 0506525 |
| XlogP3 | -0.30 (est) |
Regulatory
Physical Properties
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -6.00 to -5.00 °C. @ 760.00 mm Hg |
| Boiling Point | 193.00 to 194.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.587000 mmHg @ 25.00 °C. (est) |
| Flash Point | 174.00 °F. TCC ( 79.00 °C. ) |
| logP (o/w) | -0.270 |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2076 mg/kg |
| Dermal Toxicity | skin-guinea pig LD50 6600 ul/kg |
| Inhalation Toxicity | inhalation-rat LCLo 2000 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | cosmetic fragrance agents and aromatic raw materials |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for acetonyl acetone usage levels up to | 0.0100 % in the fragrance concentrate. |
| Recommendation for acetonyl acetone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
ACAN
acetone, acetonyl
acetonylacetone
alpha,beta-
diacetyl ethane
.alpha.,.beta.-
diacetylethane
1,2-
diacetylethane
a,b-
diacetylethane
alpha,beta-
diacetylethane
2,5-
diketohexane
2,5-
hexadione
2,5-
hexandione
2,5-
hexane dione
hexane-2,5-dione
2,5-
hexanedione
PubMed:
Alternative Biomarkers of n-Hexane exposure: Characterization of aminoderived pyrroles and thiol-pyrrole conjugates in urine of rats exposed to 2,5-Hexanedione.
PubMed:
2,5-hexanedione altered the degradation of low-molecular-weight neurofilament in rat nerve tissues.
PubMed:
Apoptotic and necrotic effects of hexanedione derivatives on the human neuroblastoma line SK-N-SH.
PubMed:
Spectrophotometric analysis of solubilized rat hair proteins following intraperitoneal injection of 2,5-hexanedione.
PubMed:
Induction of chromosome loss in yeast by combined treatment with neurotoxic hexacarbons and monoketones.
PubMed:
Acetone potentiation and influence on the reversibility of 2,5-hexanedione-induced neurotoxicity studied with behavioural and morphometric methods in rats.
PubMed:
Infertility in rats induced by 2,5-hexanedione in combination with acetone.
PubMed:
Effects of 2,5-hexanedione alone and in combination with acetone on radial arm maze behavior, the "brain-swelling" reaction and synaptosomal functions.
PubMed:
Long-term treatment with 2,5-hexanedione has no effect on the specific activity of some brain and liver glycolytic enzymes of adult rats.
PubMed:
Correlation between behavioral and pathological changes in the evaluation of neurotoxicity.
PubMed:
Comparison of the behavioral effects of neurotoxic and systemically toxic agents: how discriminatory are behavioral tests of neurotoxicity?
PubMed:
Assessment of the effects of acrylamide, methylmercury, and 2,5-hexanedione on motor functions in mice.