2,2,5,5-Tetramethyltetrahydrofuran

HCID 27010CAS 15045-43-9

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)CCC(C)(C)O1
InChIKey: BBLDTXFLAHKYFJ-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Overview

2,2,5,5-Tetramethyltetrahydrofuran is a member of oxolanes.

Names & identifiers

Preferred name: 2,2,5,5-Tetramethyltetrahydrofuran
IUPAC: 2,2,5,5-tetramethyloxolane
English name: 2,2,5,5-TETRAMETHYLTETRAHYDROFURAN
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

2,2,5,5-TETRAMETHYLTETRAHYDROFURAN15045-43-92,2,5,5-tetramethyloxolaneFuran, tetrahydro-2,2,5,5-tetramethyl-Tetrahydro-2,2,5,5-tetramethylfuranMFCD0000536883Z08D4U0TEINECS 239-117-9UNII-83Z08D4U0TAI3-251412,2,5,5-tetramethyltetrahydrofuraneSCHEMBL380315

Show more names

TETRAHYDRO-2,2,5,5-TETRA-METHYLFURAN2 2 5 5-TETRAMETHYLTETRAHYDROFURAN 97%

DTXSID1022263SCHEMBL10871250CHEBI:210533GEO-03959AKOS0159127952,2,5,5-Tetramethyl-tetrahydro-furan2,2,5,5-Tetramethyltetrahydrofuran,98%AS-63484

Database identifiers

CAS: 15045-43-9
PubChem CID: 27010
DTXSID: DTXSID1022263
ChEBI: CHEBI:210533
UNII: 83Z08D4U0T
EC Number: 239-117-9
Nikkaji: J37.037A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.7

Experimental & physicochemical properties

SolventsSolvents -> Ethers (<C12)

SpringerMaterials PropertiesChemical shift

Vapor Pressure14.4 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 112 °C · 112 °C(lit.)
Density: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.405(lit.)
Flash point: 39 °F · 39 °F
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
BRN: 103074 · 103074
Dielectric constant: 5.03 · 5.0300000000000002
InChI: InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
InChIKey: BBLDTXFLAHKYFJ-UHFFFAOYSA-N
SMILES: O1C(C)(C)CCC1(C)C
LogP: 2.06 · 2.060
CAS DataBase Reference: 15045 · 15045-43-9(CAS DataBase Reference)
FDA UNII: 83 Z08D4U0T · 83Z08D4U0T
EPA Substance Registry System: -2 · Furan, tetrahydro-2,2,5,5-tetramethyl- (15045-43-9)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Hazard Codes: F
Risk Statements: 11 · 11
Safety Statements: 16 · 16-29-33
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Tetrahydrofuran.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F
safety_code: 16-29-33
hazard_class: 3
packing_group: II
Hazard statements: H225-H302
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501