2-tert-Butylfuran

HCID 138903CAS 7040-43-9

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)c1ccco1
InChIKey: BGQBONSBNSNYIO-UHFFFAOYSA-N
Molecular formula: C8H12O
Average molar mass: 124.18 g/mol
Monoisotopic mass: 124.088815

Names & identifiers

Preferred name: 2-tert-Butylfuran
IUPAC: 2-tert-butylfuran
English name: 2-tert-Butylfuran
Molecular formula: C8H12O
Molecular weight: 124.18

Names & synonyms

2-tert-Butylfuran7040-43-9Furan, 2-(1,1-dimethylethyl)-DTXSID50220675RefChem:89419DTXCID80143166623-297-4InChI=1/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H2-(tert-Butyl)furan2-t-ButylfuranMFCD001918812-tert-Butylfuran, 97%

Show more names

2-tert-butylfuran, 97 % GC%

2-tert-butyl-furanSCHEMBL418090SCHEMBL1483363SCHEMBL2238859SCHEMBL9297650BGQBONSBNSNYIO-UHFFFAOYSA-NAKOS015912699AT32628

Database identifiers

CAS: 7040-43-9
PubChem CID: 138903
DTXSID: DTXSID50220675
EC Number: 623-297-4
Nikkaji: J492.759A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Physicochemical properties

Boiling point: 119 · 119-120 °C (lit.)
Density: 0.871 g/mL · 0.871 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 45 °F · 45 °F
form: liquid
InChI: 1S/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3
InChIKey: BGQBONSBNSNYIO-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccco1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3.1 · 3.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.