Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione

HCID 76247CAS 2938-48-9

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Basic information

Standard SMILES: CC1(C)CCC(=O)OC1=O
InChIKey: PAVNZLVXYJDFNR-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione
IUPAC: 3,3-dimethyloxane-2,6-dione
English name: 2,2-Dimethylglutaric anhydride
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

2H-Pyran-2,6(3H)-dione, dihydro-3,3-dimethyl-Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione2WKF1QUU1DDTXSID70183612EINECS 220-922-9NSC-60199NSC 60199RefChem:587666DTXCID10106103220-922-92,2-Dimethylglutaric anhydride2938-48-9

Show more names

2,2-Dimethylglutaric Anhydride >2,2-Dimethylglutaric anhydride,98%2,2-DIMETHYLGLUTARIC ANHYDRIDE 98%2,2-dimethylglutaric acid anhydrideALPHA,ALPHA-DIMETHYLGLUTARIC ANHYDRIDE3,3-dimethyltetrahydro-2H-pyran-2,6-dione

3,3-dimethyloxane-2,6-dione3,3-Dimethyldihydro-2H-pyran-2,6(3H)-dioneMFCD000066823,3-dimethyltetrahydropyran-2,6-dioneAKOS0089010723,3-dimethyl-dihydro-pyran-2,6-dioneSY049499.alpha.,.alpha.-Dimethyl glutaric anhydride

Database identifiers

CAS: 2938-48-9
PubChem CID: 76247
DTXSID: DTXSID70183612
UNII: 2WKF1QUU1D
EC Number: 220-922-9
Nikkaji: J151.111D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 34 · 34-38 °C (lit.)
Boiling point: 175 · 175-180 °C/60 mmHg (lit.)
Density: 1.1643 · 1.1643 (rough estimate)
refractive index: 1.473 · 1.4730 (estimate)
Flash point: 230 °F · >230 °F
form: powder to lump
color: White to Almost white
Sensitive: Moisture Sensitive
BRN: 117056 · 117056
InChI: InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3
InChIKey: PAVNZLVXYJDFNR-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)CCC1(C)C
CAS DataBase Reference: 2938 · 2938-48-9(CAS DataBase Reference)
FDA UNII: 2 WKF1QUU1D · 2WKF1QUU1D
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29171990 · 29171990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29171990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2,2-Dimethylglutaric anhydride is an organic intermediate, and some literature reports that 2,2-dimethylglutaric anhydride can be used to prepare a high molecular weight aliphatic polyester.