CAS Number3002-23-1
Synonyms6-Methylheptane-2,4-dione; 6-Methylheptan-2,4-dione; EINECS 221-093-6; MFCD00008939; isobutylcarbonylacetone; 2,4-Heptanedione,6-methyl; 6-Methyl-2,4-heptanedione; 2-methyl-4,6-heptanedione; Isovalerylacetone
Molecular Formula(CH3)2CHCH2COCH2COCH3
Molecular Weight142.20
Density0.92 g/mL at 25 °C(lit.)
Boiling Point73 °C (18 mmHg)
AppearanceTransparent colorless to light yellow liquid
EINECS221-093-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3002-23-1 |
| Catalog No. | 2A-1185099 |
| Chinese Name | 6-甲基-2,4-庚二酮 |
| Synonyms | 6-Methylheptane-2,4-dione; 6-Methylheptan-2,4-dione; EINECS 221-093-6; MFCD00008939; isobutylcarbonylacetone; 2,4-Heptanedione,6-methyl; 6-Methyl-2,4-heptanedione; 2-methyl-4,6-heptanedione; Isovalerylacetone |
| Molecular Formula | (CH3)2CHCH2COCH2COCH3 |
| Molecular Weight | 142.20 |
| Density | 0.92 g/mL at 25 °C(lit.) |
| Boiling Point | 73 °C (18 mmHg) |
| Appearance | Transparent colorless to light yellow liquid |
| Storage Condition | Sealed in a cool, dry environment at 2-8 ºC |
| Packaging | III |
| EINECS | 221-093-6 |
| PubChem ID | 57654375 |
| MDL Number | MFCD00008939 |
| SMILES | CC(=O)CC(=O)CC(C)C |
| InChI | InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3 |
| InChI Key | IGMOYJSFRIASIE-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1751122 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 3 |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: 1993 International Maritime Transport Dangerous Regulations: 1993 International Air Transport Dangerous Regulations: 1993 14.2 United Nations shipping name European Land Transport Dangerous Regulations: FLAMMABLE LIQUID, N.O.S. (6-Methylheptane-2,4-dione) IMDG Code: FLAMMABLE LIQUID, N.O.S. (6-Methylheptane-2,4-dione) International air transport hazard regulations: Flammable liquid, n.o.s. (6-Methylheptane-2,4-dione) 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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