Basic information
- CAS
815-68-9- Standard SMILES
CC(=O)C(C(C)=O)C(C)=O- InChIKey
AUZFRUHVDNDVJI-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- Methine triacetate
- IUPAC
- 3-acetylpentane-2,4-dione
- English name
- Triacetylmethane
- Molecular formula
- C7H10O3
- Molecular weight
- 142.15
Names & synonyms
815-68-9Methine triacetate3-Acetyl-2,4-pentanedione2,4-Pentanedione, 3-acetyl-EINECS 212-422-4DTXSID50231145RefChem:811733DTXCID50153636212-422-4Triacetylmethane3-acetylpentane-2,4-dioneDiacetylaceton
Show more names
Triacetylmethane,97%3-(1-HYDROXYETHYLIDENE)-2,4-PENTANEDIONE
Methane triacetateMethane, triacetyl-XF3T5YJT4R3-Acetyl-2,4-pentandioneSCHEMBL233035SCHEMBL7729944MFCD00004516AKOS025295785
Database identifiers
- CAS
815-68-9- PubChem CID
- 69950
- DTXSID
DTXSID50231145- UNII
- XF3T5YJT4R
- EC Number
- 212-422-4
- Nikkaji
- J1.736A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 203.5 °C · 203.5 °C (lit.)
- Density
- 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.487(lit.)
- Flash point
- 190 °F · 190 °F
- pka
- 1 · pK1:5.81 (25°C)
- form
- liquid
- InChI
- 1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h8H,1-3H3
- InChIKey
- IZKUHUPRYVVSHM-UHFFFAOYSA-N
- SMILES
- C\C(O)=C(\C(C)=O)C(C)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2,4-Pentanedione, 3-acetyl-
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesTriacetylmethane was used in the synthesis of novel metal complexes bis(3-acetyl-2,4-pentanedionato-O2,O3)palladium(II) and bis(3-acetyl-2,4-pentanedionato-O2,O3)magnesium(II).
General DescriptionTriacetylmethane on condensation with 2,6-diisopropylaniline in toluene in the presence of p-toluenesulfonic acid yields 3-[1-(2,6-diisopropylphenylamino)ethylidene]pentane-2,4-dione.
Upstream & downstream products
Downstream products
Suppliers5 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
Loading…