2,2,4,4-Tetramethyl-1,3-cyclobutanedione (HCID 13617)

Names & identifiers

Preferred name: 2,2,4,4-Tetramethyl-1,3-cyclobutanedione
IUPAC: 2,2,4,4-tetramethylcyclobutane-1,3-dione
English name: TETRAMETHYL-1,3-CYCLOBUTANEDIONE
Molecular formula: C8H12O2
Molecular weight: 140.18

Names & synonyms

933-52-8Tetramethylcyclobutane-1,3-dione2,2,4,4-tetramethylcyclobutane-1,3-dione1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIONETetramethylcyclobuta-1,3-dione1,1,3,3-TetramethylcyclobutanedioneNSC 72172HSDB 5522RT4AQ22KS4EINECS 213-269-6NSC 46472

Show more names

C8H12O2Dimethylkene dimerRARECHEM AQ C4 0041TIMTEC-BB SBB008408DIMETHYL KETENE DIMERTetramethylcyclobutenedione[Precursor to DiMethyl Ketene]

DTXSID4044745AI3-15918NSC-46472NSC-72172DTXCID2024745RefChem:440690Tetramethylcyclobuta1,3dioneTetramethyl1,3cyclobutanedione

Database identifiers

CAS: 933-52-8
PubChem CID: 13617
DTXSID: DTXSID4044745
ChEMBL: CHEMBL3183999
UNII: RT4AQ22KS4
EC Number: 213-269-6
Nikkaji: J33.998I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds

SpringerMaterials PropertiesChemical shift

Physical DescriptionWhite crystalline solid; [MSDSonline]

Physicochemical properties

Melting point: 114 · 114-116 °C(lit.)
Boiling point: 95 · 95-159 °C750 mm Hg(lit.)
Density: 1.0373 · 1.0373 (rough estimate)
refractive index: 1.458 · 1.4580 (estimate)
Flash point: 120 · 120-122°C/150mm
storage temp.: Sealed in dry,Room Temperature
solubility: It is soluble in chloroform.
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3
InChIKey: RGCDVHNITQEYPO-UHFFFAOYSA-N
SMILES: C1(=O)C(C)(C)C(=O)C1(C)C
CAS DataBase Reference: 933 · 933-52-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 AQ22KS4 · RT4AQ22KS4
EPA Substance Registry System: 1 · 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl- (933-52-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 1775000 · GU1775000
TSCA: TSCA listed
HS Code: 2914290090 · 2914290090
Storage Class: 11 · 11 - Combustible Solids
Hazardous Substances Data: 933 · 933-52-8(Hazardous Substances Data)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-

Hazards SummaryA tumorigen; [RTECS] May cause irritation; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Toxicology

Non-Human Toxicity ExcerptsAMONG 13 LOW MOLECULAR WEIGHT COMPOUNDS TESTED FOR CARCINOGENIC ACTIVITY BY LIFETIME SC INJECTION IN ICR/HA SWISS MICE, 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIONE, CAUSED LOW INCIDENCES OF TUMORS AT THE INJECTION SITE.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: GU1775000
hs_code: 2914290090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazardous Substances Data: 933-52-8(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-: ACTIVE

Applications

UsesTetramethyl-1,3-cyclobutanedione is used as a chemical for life science research. It is also used to make other chemical, as well as an chemical and organic intermediate.