3,3-Dimethylglutaric anhydride

HCID 77813

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4160-82-1
Standard SMILES: CC1(C)CC(=O)OC(=O)C1
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: 3,3-Dimethylglutaric anhydride
IUPAC: 4,4-dimethyloxane-2,6-dione
English name: 3,3-Dimethylglutaric anhydride
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

3,3-Dimethylglutaric anhydride4160-82-14,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-Glutaric anhydride, 3,3-dimethyl-U3BON0TR03NSC 2827NSC-28273,3-dimethylglutaric acid anhydrideEINECS 223-998-1Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dioneGlutaric anhydride, beta,beta-dimethyl-

Show more names

GEPI-005MONO-0024,4-dimethyloxane-2,6-dione3,3-Dimethyladipic anhydride3,3'-DIMETHYL GLUTARIC ANHYDRIDE3,3-DIMETHYLGLUTARIC ANHYDRIDE 99%

.beta.,.beta.-Dimethylglutaric anhydrideAI3-11032DTXSID40633274,4-DIMETHYLDIHYDROPYRAN-2,6-DIONERefChem:485584DTXCID8039950beta,beta-Dimethylglutaric anhydride223-998-1

Database identifiers

CAS: 4160-82-1
PubChem CID: 77813
DTXSID: DTXSID4063327
UNII: U3BON0TR03
EC Number: 223-998-1
Nikkaji: J151.112B

Properties

Computed structural properties

XLogP: 0.7
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: 163

Physicochemical properties

Melting point: 124 · 124-126 °C (lit.)
Boiling point: 181 °C/25 · 181 °C/25 mmHg (lit.)
Density: 1.1643 · 1.1643 (rough estimate)
refractive index: 1.473 · 1.4730 (estimate)
Flash point: 181 °C/25mm · 181°C/25mm
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
color: White to off-white
Sensitive: Moisture Sensitive
InChI: InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)CC(C)(C)C1
CAS DataBase Reference: 4160 · 4160-82-1(CAS DataBase Reference)
FDA UNII: 3 BON0TR03 · U3BON0TR03
EPA Substance Registry System: 2 H-Pyran-2,6 · 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl- (4160-82-1)
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-P264-P271-P280-P302+P352-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 · 26-37/39-36
WGK Germany: 3 · 3
TSCA: TSCA listed
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.